N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

C15H23N5O — CID 50960308

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2c(C)nn(C(C)C)c2C)ncn1
InChIInChI=1S/C15H23N5O/c1-10(2)20-12(4)13(11(3)18-20)8-19(5)14-7-15(21-6)17-9-16-14/h7,9-10H,8H2,1-6H3
InChIKeySFPYTQUEGCLIKQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds5

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 50960308) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID50960308
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2c(C)nn(C(C)C)c2C)ncn1
InChIInChI=1S/C15H23N5O/c1-10(2)20-12(4)13(11(3)18-20)8-19(5)14-7-15(21-6)17-9-16-14/h7,9-10H,8H2,1-6H3
InChIKeySFPYTQUEGCLIKQ-UHFFFAOYSA-N
XLogP2.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (CID 50960308) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine is COc1cc(N(C)Cc2c(C)nn(C(C)C)c2C)ncn1.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is SFPYTQUEGCLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)20-12(4)13(11(3)18-20)8-19(5)14-7-15(21-6)17-9-16-14/h7,9-10H,8H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 50960308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).