4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine

C18H23F2N5 — CID 139300817

IUPAC4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2cc(C3CC3)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C18H23F2N5/c1-11-9-12(2)25(24-11)16-10-15(13-3-4-13)22-17(23-16)21-14-5-7-18(19,20)8-6-14/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23)
InChIKeyWICDDRBVLBRTRL-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.15
Rot. Bonds4

About 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine

4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 139300817) has the molecular formula C18H23F2N5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID139300817
Molecular FormulaC18H23F2N5
Molecular Weight347.41 g/mol
Exact Mass347.19
IUPAC Name4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2cc(C3CC3)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C18H23F2N5/c1-11-9-12(2)25(24-11)16-10-15(13-3-4-13)22-17(23-16)21-14-5-7-18(19,20)8-6-14/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23)
InChIKeyWICDDRBVLBRTRL-UHFFFAOYSA-N
XLogP4.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine (CID 139300817) is 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine is Cc1cc(C)n(-c2cc(C3CC3)nc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is WICDDRBVLBRTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5/c1-11-9-12(2)25(24-11)16-10-15(13-3-4-13)22-17(23-16)21-14-5-7-18(19,20)8-6-14/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23).
What are the key properties of 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine?
4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 347.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 139300817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).