4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H15N5 — CID 114737793

IUPAC4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2nccn2C)nc2c1CNCC2
InChIInChI=1S/C12H15N5/c1-8-9-7-13-4-3-10(9)16-11(15-8)12-14-5-6-17(12)2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyMUWHQLINHJPZJC-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.83
Rot. Bonds1

About 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737793) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737793
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2nccn2C)nc2c1CNCC2
InChIInChI=1S/C12H15N5/c1-8-9-7-13-4-3-10(9)16-11(15-8)12-14-5-6-17(12)2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyMUWHQLINHJPZJC-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740201
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738810
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136992267
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743078
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737819
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737886
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
N-methyl-2-(1-methylimidazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190102

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737793) is 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1nc(-c2nccn2C)nc2c1CNCC2.
What is the InChIKey of 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is MUWHQLINHJPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-9-7-13-4-3-10(9)16-11(15-8)12-14-5-6-17(12)2/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).