N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C16H21F2N5O — CID 139300346

IUPACN-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1
InChIInChI=1S/C16H21F2N5O/c1-11-5-8-23(22-11)15-20-13(10-24-2)9-14(21-15)19-12-3-6-16(17,18)7-4-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyPZEWSCUDQDZKBO-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.11
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 139300346) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID139300346
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC NameN-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1
InChIInChI=1S/C16H21F2N5O/c1-11-5-8-23(22-11)15-20-13(10-24-2)9-14(21-15)19-12-3-6-16(17,18)7-4-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyPZEWSCUDQDZKBO-UHFFFAOYSA-N
XLogP3.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.11
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)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 139300346) is N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is COCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is PZEWSCUDQDZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-11-5-8-23(22-11)15-20-13(10-24-2)9-14(21-15)19-12-3-6-16(17,18)7-4-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 337.37 g/mol, XLogP of 3.11, 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)-6-(methoxymethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).