6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H23N5O — CID 135942741

IUPAC6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCc1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)[nH]1
InChIInChI=1S/C16H23N5O/c1-3-4-5-15-17-8-12(20-15)9-21-7-6-14-13(10-21)16(22)19-11(2)18-14/h8H,3-7,9-10H2,1-2H3,(H,17,20)(H,18,19,22)
InChIKeyGSEIRQVKAXCBAO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.70
Rot. Bonds5

About 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942741) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942741
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCc1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)[nH]1
InChIInChI=1S/C16H23N5O/c1-3-4-5-15-17-8-12(20-15)9-21-7-6-14-13(10-21)16(22)19-11(2)18-14/h8H,3-7,9-10H2,1-2H3,(H,17,20)(H,18,19,22)
InChIKeyGSEIRQVKAXCBAO-UHFFFAOYSA-N
XLogP1.70
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942746
6-(1H-imidazol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861014
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944799
6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944379
6-(1H-imidazol-5-ylmethyl)-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862580
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862558
6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911180
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862091
6-[(5-bromo-3-pyridinyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944639
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943539
2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861454
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942741) is 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCCc1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)[nH]1.
What is the InChIKey of 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GSEIRQVKAXCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-4-5-15-17-8-12(20-15)9-21-7-6-14-13(10-21)16(22)19-11(2)18-14/h8H,3-7,9-10H2,1-2H3,(H,17,20)(H,18,19,22).
What are the key properties of 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).