2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide

C11H16BrN5O2 — CID 177239580

IUPAC2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide
SMILESBr.CN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O
InChIInChI=1S/C11H15N5O2.BrH/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10;/h12H,2-6H2,1H3,(H,13,14,17);1H
InChIKeyKVWDXEUJVWKDCN-UHFFFAOYSA-N
MW330.19 g/mol
LogP0.21
Rot. Bonds1

About 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide

2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide (PubChem CID 177239580) has the molecular formula C11H16BrN5O2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide
PubChem CID177239580
Molecular FormulaC11H16BrN5O2
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide
SMILESBr.CN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O
InChIInChI=1S/C11H15N5O2.BrH/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10;/h12H,2-6H2,1H3,(H,13,14,17);1H
InChIKeyKVWDXEUJVWKDCN-UHFFFAOYSA-N
XLogP0.21
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

"N-methyl-2-(4-methylpiperazino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide"
CID 136665474
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325826
4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137095087
(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 129096709
6-methyl-2-(propan-2-ylamino)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136040540
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513
N-(2-acetamidoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136445991
2-amino-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carbaldehyde
CID 136446930
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-ethylpropanamide
CID 136477481
2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 141907337
N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide
CID 175113266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide (CID 177239580) is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide is Br.CN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide?
The InChIKey is KVWDXEUJVWKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2.BrH/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10;/h12H,2-6H2,1H3,(H,13,14,17);1H.
What are the key properties of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide?
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide has a molecular weight of 330.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrobromide is sourced from PubChem (CID 177239580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).