2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine

C10H14ClF2N5 — CID 90694035

IUPAC2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine
SMILESNc1nc(Cl)nc(NC2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H14ClF2N5/c11-9-17-7(15)6(14)8(18-9)16-5-1-3-10(12,13)4-2-5/h5H,1-4,14H2,(H3,15,16,17,18)
InChIKeyCDPPWILIGHQDPZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine

2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine (PubChem CID 90694035) has the molecular formula C10H14ClF2N5 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine
PubChem CID90694035
Molecular FormulaC10H14ClF2N5
Molecular Weight277.71 g/mol
Exact Mass277.09
IUPAC Name2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine
SMILESNc1nc(Cl)nc(NC2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H14ClF2N5/c11-9-17-7(15)6(14)8(18-9)16-5-1-3-10(12,13)4-2-5/h5H,1-4,14H2,(H3,15,16,17,18)
InChIKeyCDPPWILIGHQDPZ-UHFFFAOYSA-N
XLogP2.28
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine
CID 134299813
6-chloro-4-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
CID 138684399
6-chloro-4-N-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 138684457
6-chloro-4-N-[3-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
CID 139295555
6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine
CID 139295669
6-chloro-4-N-[(1S)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine
CID 139295670
6-[Amino-(2,2-difluorocyclohexyl)amino]pyrimidine-4,5-diamine
CID 139313677
4-N-[3-(2,2,2-trifluoroethyl)cyclohexyl]pyrimidine-4,5,6-triamine
CID 139314003
6-[Amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 139314123
6-[Amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine
CID 139314140
2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
CID 139437443
4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine
CID 142292870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine (CID 90694035) is 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine is Nc1nc(Cl)nc(NC2CCC(F)(F)CC2)c1N.
What is the InChIKey of 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine?
The InChIKey is CDPPWILIGHQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2N5/c11-9-17-7(15)6(14)8(18-9)16-5-1-3-10(12,13)4-2-5/h5H,1-4,14H2,(H3,15,16,17,18).
What are the key properties of 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine?
2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine has a molecular weight of 277.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(4,4-difluorocyclohexyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 90694035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).