6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C14H16ClF2N5 — CID 139300591

IUPAC6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESFCc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C14H16ClF2N5/c15-12-7-13(18-10-3-1-9(17)2-4-10)20-14(19-12)22-6-5-11(8-16)21-22/h5-7,9-10H,1-4,8H2,(H,18,19,20)
InChIKeyVZQBQSFGXMUXAL-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.48
Rot. Bonds4

About 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 139300591) has the molecular formula C14H16ClF2N5 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID139300591
Molecular FormulaC14H16ClF2N5
Molecular Weight327.77 g/mol
Exact Mass327.11
IUPAC Name6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESFCc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C14H16ClF2N5/c15-12-7-13(18-10-3-1-9(17)2-4-10)20-14(19-12)22-6-5-11(8-16)21-22/h5-7,9-10H,1-4,8H2,(H,18,19,20)
InChIKeyVZQBQSFGXMUXAL-UHFFFAOYSA-N
XLogP3.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 139300591) is 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is FCc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is VZQBQSFGXMUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N5/c15-12-7-13(18-10-3-1-9(17)2-4-10)20-14(19-12)22-6-5-11(8-16)21-22/h5-7,9-10H,1-4,8H2,(H,18,19,20).
What are the key properties of 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 327.77 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 139300591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).