2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole

C28H33ClF6N10 — CID 157468443

IUPAC2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2cc(F)cn2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.Fc1cn[nH]c1
InChIInChI=1S/C14H16F3N5.C11H14ClF2N3.C3H3FN2/c1-9-6-12(20-11-2-4-14(16,17)5-3-11)21-13(19-9)22-8-10(15)7-18-22;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;4-3-1-5-6-2-3/h6-8,11H,2-5H2,1H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,5,6)
InChIKeyBUSZHHXBLYVQJY-UHFFFAOYSA-N
MW659.08 g/mol
LogP7.08
Rot. Bonds5

About 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole (PubChem CID 157468443) has the molecular formula C28H33ClF6N10 and a molecular weight of 659.08 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
PubChem CID157468443
Molecular FormulaC28H33ClF6N10
Molecular Weight659.08 g/mol
Exact Mass658.25
IUPAC Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2cc(F)cn2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.Fc1cn[nH]c1
InChIInChI=1S/C14H16F3N5.C11H14ClF2N3.C3H3FN2/c1-9-6-12(20-11-2-4-14(16,17)5-3-11)21-13(19-9)22-8-10(15)7-18-22;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;4-3-1-5-6-2-3/h6-8,11H,2-5H2,1H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,5,6)
InChIKeyBUSZHHXBLYVQJY-UHFFFAOYSA-N
XLogP7.08
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.08
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 25176921
6-(3,3-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 71030296
6-(4-fluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 71030414
6-(3,3-difluoropiperidin-1-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 77863471
3-[6-[(4,4-Difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 132206633
N-(4,4-difluorocyclohexyl)-4-(3-methylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
CID 132206707
N-(4,4-difluorocyclohexyl)-2-[4-(4-fluoro-3-methylpyrazol-1-yl)-3-methylpyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132207117
6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753722
6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753746
6-(3-fluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753762
1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 154687310
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carbonitrile;1H-pyrazole-5-carbonitrile
CID 157796891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole (CID 157468443) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole.
What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole is Cc1cc(NC2CCC(F)(F)CC2)nc(-n2cc(F)cn2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.Fc1cn[nH]c1.
What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole?
The InChIKey is BUSZHHXBLYVQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5.C11H14ClF2N3.C3H3FN2/c1-9-6-12(20-11-2-4-14(16,17)5-3-11)21-13(19-9)22-8-10(15)7-18-22;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;4-3-1-5-6-2-3/h6-8,11H,2-5H2,1H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,5,6).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole?
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole has a molecular weight of 659.08 g/mol, XLogP of 7.08, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole is sourced from PubChem (CID 157468443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).