2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C11H15N3O — CID 136982116

IUPAC2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1Cc2c(nc(C3CC3)[nH]c2=O)CN1
InChIInChI=1S/C11H15N3O/c1-6-4-8-9(5-12-6)13-10(7-2-3-7)14-11(8)15/h6-7,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyZJLIPBGMJXVCHH-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.68
Rot. Bonds1

About 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136982116) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136982116
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1Cc2c(nc(C3CC3)[nH]c2=O)CN1
InChIInChI=1S/C11H15N3O/c1-6-4-8-9(5-12-6)13-10(7-2-3-7)14-11(8)15/h6-7,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyZJLIPBGMJXVCHH-UHFFFAOYSA-N
XLogP0.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696365
2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137015060
2-(oxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696313
2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941472
ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
CID 118902551
2-(thian-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941325
2-(thiolan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941556
7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865778
2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286365
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
2-cyclopropyl-6-[(2-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136982116) is 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CC1Cc2c(nc(C3CC3)[nH]c2=O)CN1.
What is the InChIKey of 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZJLIPBGMJXVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-4-8-9(5-12-6)13-10(7-2-3-7)14-11(8)15/h6-7,12H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 205.26 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136982116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).