4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine

C14H16ClF2N5 — CID 139320034

IUPAC4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1ccnn1-c1cc(Cl)nc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H16ClF2N5/c1-9-4-7-18-22(9)12-8-11(15)20-13(21-12)19-10-2-5-14(16,17)6-3-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,21)
InChIKeyRPJOYUTWMWMYRX-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 139320034) has the molecular formula C14H16ClF2N5 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID139320034
Molecular FormulaC14H16ClF2N5
Molecular Weight327.77 g/mol
Exact Mass327.11
IUPAC Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1ccnn1-c1cc(Cl)nc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H16ClF2N5/c1-9-4-7-18-22(9)12-8-11(15)20-13(21-12)19-10-2-5-14(16,17)6-3-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,21)
InChIKeyRPJOYUTWMWMYRX-UHFFFAOYSA-N
XLogP3.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine (CID 139320034) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine is Cc1ccnn1-c1cc(Cl)nc(NC2CCC(F)(F)CC2)n1.
What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is RPJOYUTWMWMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N5/c1-9-4-7-18-22(9)12-8-11(15)20-13(21-12)19-10-2-5-14(16,17)6-3-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,21).
What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine?
4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 327.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 139320034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).