N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine

C17H23F2N5O — CID 139319795

IUPACN-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC(C)C)n2)n1
InChIInChI=1S/C17H23F2N5O/c1-11(2)25-15-10-14(20-13-4-7-17(18,19)8-5-13)21-16(22-15)24-9-6-12(3)23-24/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22)
InChIKeyJFMPUVUDJCGSMC-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.75
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 139319795) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID139319795
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC(C)C)n2)n1
InChIInChI=1S/C17H23F2N5O/c1-11(2)25-15-10-14(20-13-4-7-17(18,19)8-5-13)21-16(22-15)24-9-6-12(3)23-24/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22)
InChIKeyJFMPUVUDJCGSMC-UHFFFAOYSA-N
XLogP3.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine (CID 139319795) is N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine is Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC(C)C)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is JFMPUVUDJCGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-11(2)25-15-10-14(20-13-4-7-17(18,19)8-5-13)21-16(22-15)24-9-6-12(3)23-24/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 351.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 139319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).