2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride

C7H10ClN3O — CID 136666284

IUPAC2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride
SMILESCc1nc2c(c(=O)[nH]1)CNC2.Cl
InChIInChI=1S/C7H9N3O.ClH/c1-4-9-6-3-8-2-5(6)7(11)10-4;/h8H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyYGAHFMVUSQBDHQ-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.10
Rot. Bonds

About 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride

2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride (PubChem CID 136666284) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride
PubChem CID136666284
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride
SMILESCc1nc2c(c(=O)[nH]1)CNC2.Cl
InChIInChI=1S/C7H9N3O.ClH/c1-4-9-6-3-8-2-5(6)7(11)10-4;/h8H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyYGAHFMVUSQBDHQ-UHFFFAOYSA-N
XLogP0.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
2-(5-methylpyrimidin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992308
2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941265
2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
2-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941376
2-[(4-methylphenyl)sulfanylmethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941290
2-(3-fluoro-4-methylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992287
2-(4-propan-2-ylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941403
2-(4-methylsulfanylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136673908
2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941342
2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941453
2-methyl-7-phosphanyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137223582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride (CID 136666284) is 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride is Cc1nc2c(c(=O)[nH]1)CNC2.Cl.
What is the InChIKey of 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride?
The InChIKey is YGAHFMVUSQBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c1-4-9-6-3-8-2-5(6)7(11)10-4;/h8H,2-3H2,1H3,(H,9,10,11);1H.
What are the key properties of 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride?
2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 136666284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).