2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C13H15N7 — CID 106716060

IUPAC2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCn1cncc1-c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H15N7/c1-3-20-8-15-6-11(20)13-17-10(4-12(14)18-13)9-5-16-19(2)7-9/h4-8H,3H2,1-2H3,(H2,14,17,18)
InChIKeyOWOOQGBECFQPMB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.34
Rot. Bonds3

About 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106716060) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106716060
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCn1cncc1-c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H15N7/c1-3-20-8-15-6-11(20)13-17-10(4-12(14)18-13)9-5-16-19(2)7-9/h4-8H,3H2,1-2H3,(H2,14,17,18)
InChIKeyOWOOQGBECFQPMB-UHFFFAOYSA-N
XLogP1.34
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715661

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106716060) is 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CCn1cncc1-c1nc(N)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is OWOOQGBECFQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-3-20-8-15-6-11(20)13-17-10(4-12(14)18-13)9-5-16-19(2)7-9/h4-8H,3H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106716060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).