6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine

C10H13ClF2N4 — CID 139295669

IUPAC6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C10H13ClF2N4/c11-8-7(14)9(16-5-15-8)17-6-2-1-3-10(12,13)4-6/h5-6H,1-4,14H2,(H,15,16,17)/t6-/m1/s1
InChIKeyBRISZNAJSPRUAC-ZCFIWIBFSA-N
MW262.69 g/mol
LogP2.70
Rot. Bonds2

About 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine

6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine (PubChem CID 139295669) has the molecular formula C10H13ClF2N4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine
PubChem CID139295669
Molecular FormulaC10H13ClF2N4
Molecular Weight262.69 g/mol
Exact Mass262.08
IUPAC Name6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C10H13ClF2N4/c11-8-7(14)9(16-5-15-8)17-6-2-1-3-10(12,13)4-6/h5-6H,1-4,14H2,(H,15,16,17)/t6-/m1/s1
InChIKeyBRISZNAJSPRUAC-ZCFIWIBFSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine (CID 139295669) is 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1N[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine?
The InChIKey is BRISZNAJSPRUAC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClF2N4/c11-8-7(14)9(16-5-15-8)17-6-2-1-3-10(12,13)4-6/h5-6H,1-4,14H2,(H,15,16,17)/t6-/m1/s1.
What are the key properties of 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine has a molecular weight of 262.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1R)-3,3-difluorocyclohexyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 139295669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).