2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine

C19H25F4N7 — CID 122449456

IUPAC2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1[nH]ncc1-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C19H25F4N7/c1-11-14(10-24-30-11)15-27-16(25-12-2-6-18(20,21)7-3-12)29-17(28-15)26-13-4-8-19(22,23)9-5-13/h10,12-13H,2-9H2,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyJFRUVSTXWRGBOY-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.55
Rot. Bonds5

About 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 122449456) has the molecular formula C19H25F4N7 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID122449456
Molecular FormulaC19H25F4N7
Molecular Weight427.45 g/mol
Exact Mass427.21
IUPAC Name2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1[nH]ncc1-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C19H25F4N7/c1-11-14(10-24-30-11)15-27-16(25-12-2-6-18(20,21)7-3-12)29-17(28-15)26-13-4-8-19(22,23)9-5-13/h10,12-13H,2-9H2,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyJFRUVSTXWRGBOY-UHFFFAOYSA-N
XLogP4.55
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1-fluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123824132
2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-(3-methyl-6H-1,2,4-thiadiazin-5-yl)-1,3,5-triazine-2,4-diamine
CID 146258844
2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 144770960
6-(6-chloro-2-pyridinyl)-4-N-(4,4-difluorocyclohexyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 122440806
2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
CID 151138102
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
N-(4,4-difluorocyclohexyl)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773223
3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine
CID 131114112
4-chloro-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazin-2-amine
CID 83241225
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
N-[3-[[4-[(4,4-difluorocyclohexyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propyl]-N-propylmethanesulfonamide
CID 155016835
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxypyrimidin-4-amine
CID 139300367

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 122449456) is 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine is Cc1[nH]ncc1-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JFRUVSTXWRGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N7/c1-11-14(10-24-30-11)15-27-16(25-12-2-6-18(20,21)7-3-12)29-17(28-15)26-13-4-8-19(22,23)9-5-13/h10,12-13H,2-9H2,1H3,(H,24,30)(H2,25,26,27,28,29).
What are the key properties of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 427.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 122449456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).