6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C12H15N5 — CID 24910293

IUPAC6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C12H15N5/c1-9-14-4-10-6-17(3-2-12(10)16-9)7-11-5-13-8-15-11/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyXPOBXMGSPLDSDG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.07
Rot. Bonds2

About 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910293) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910293
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C12H15N5/c1-9-14-4-10-6-17(3-2-12(10)16-9)7-11-5-13-8-15-11/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyXPOBXMGSPLDSDG-UHFFFAOYSA-N
XLogP1.07
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912897
2-methyl-4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915795
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912561
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
CID 24917852
2-methyl-6-[(7-methyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909348
2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-amine
CID 123594132
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
CID 126630237
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
2-methyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915144

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910293) is 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1cnc[nH]1)C2.
What is the InChIKey of 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XPOBXMGSPLDSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-14-4-10-6-17(3-2-12(10)16-9)7-11-5-13-8-15-11/h4-5,8H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).