2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C16H17N5 — CID 106715725

IUPAC2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H17N5/c1-11-5-3-4-6-12(11)7-16-19-14(8-15(17)20-16)13-9-18-21(2)10-13/h3-6,8-10H,7H2,1-2H3,(H2,17,19,20)
InChIKeyRVILFEIXESRTIE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.36
Rot. Bonds3

About 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715725) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715725
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H17N5/c1-11-5-3-4-6-12(11)7-16-19-14(8-15(17)20-16)13-9-18-21(2)10-13/h3-6,8-10H,7H2,1-2H3,(H2,17,19,20)
InChIKeyRVILFEIXESRTIE-UHFFFAOYSA-N
XLogP2.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 106715564
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine
CID 123397851
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715725) is 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cc1ccccc1Cc1nc(N)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is RVILFEIXESRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-5-3-4-6-12(11)7-16-19-14(8-15(17)20-16)13-9-18-21(2)10-13/h3-6,8-10H,7H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).