4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine

C14H19N5O — CID 46988994

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NC2CCOCC2)n1
InChIInChI=1S/C14H19N5O/c1-10-12(9-19(2)18-10)13-3-6-15-14(17-13)16-11-4-7-20-8-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyJDSIKFJYIRXFRC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds3

About 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 46988994) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID46988994
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NC2CCOCC2)n1
InChIInChI=1S/C14H19N5O/c1-10-12(9-19(2)18-10)13-3-6-15-14(17-13)16-11-4-7-20-8-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyJDSIKFJYIRXFRC-UHFFFAOYSA-N
XLogP1.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[4-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 155376835
N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
CID 10177126
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169
N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821433
4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 67389359
4-[3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216693
N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46987942
N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170574382
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine (CID 46988994) is 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(NC2CCOCC2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is JDSIKFJYIRXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-12(9-19(2)18-10)13-3-6-15-14(17-13)16-11-4-7-20-8-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46988994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).