6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine

C15H16ClF2N3O — CID 139300423

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)o1
InChIInChI=1S/C15H16ClF2N3O/c1-9-2-3-11(22-9)14-20-12(16)8-13(21-14)19-10-4-6-15(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,19,20,21)
InChIKeyZSRCIXQNFYURPR-UHFFFAOYSA-N
MW327.76 g/mol
LogP4.69
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 139300423) has the molecular formula C15H16ClF2N3O and a molecular weight of 327.76 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID139300423
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)o1
InChIInChI=1S/C15H16ClF2N3O/c1-9-2-3-11(22-9)14-20-12(16)8-13(21-14)19-10-4-6-15(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,19,20,21)
InChIKeyZSRCIXQNFYURPR-UHFFFAOYSA-N
XLogP4.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine (CID 139300423) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine is Cc1ccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)o1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is ZSRCIXQNFYURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O/c1-9-2-3-11(22-9)14-20-12(16)8-13(21-14)19-10-4-6-15(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 327.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).