N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

C12H19FN4 — CID 106128441

IUPACN-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CCCC(N)C2)c1F
InChIInChI=1S/C12H19FN4/c1-8-11(13)12(17-7-16-8)15-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6,14H2,1H3,(H,15,16,17)
InChIKeyPEQPTDPAWJRISM-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.85
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 106128441) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID106128441
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC NameN-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CCCC(N)C2)c1F
InChIInChI=1S/C12H19FN4/c1-8-11(13)12(17-7-16-8)15-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6,14H2,1H3,(H,15,16,17)
InChIKeyPEQPTDPAWJRISM-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131931568
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
4-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-5-fluoro-6-methylpyrimidin-2-amine
CID 53257922
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
CID 59943477
6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine
CID 70858735
6-ethyl-5-fluoro-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 103867425
2-Chloro-N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 117817673

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (CID 106128441) is N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCC2CCCC(N)C2)c1F.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is PEQPTDPAWJRISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-8-11(13)12(17-7-16-8)15-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6,14H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 238.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 106128441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).