(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H14N4O — CID 142846945

IUPAC(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@H]1C[C@@H](CN)n2c1ncc(N)c2=O
InChIInChI=1S/C9H14N4O/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14/h4-6H,2-3,10-11H2,1H3/t5-,6-/m0/s1
InChIKeyMSNOKOUMBWQQFJ-WDSKDSINSA-N
MW194.24 g/mol
LogP-0.17
Rot. Bonds1

About (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 142846945) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID142846945
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@H]1C[C@@H](CN)n2c1ncc(N)c2=O
InChIInChI=1S/C9H14N4O/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14/h4-6H,2-3,10-11H2,1H3/t5-,6-/m0/s1
InChIKeyMSNOKOUMBWQQFJ-WDSKDSINSA-N
XLogP-0.17
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 130337027
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
CID 142846944
(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 163608970
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
(6S,8S)-3-amino-8-ethynyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137588
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 126974181

Frequently Asked Questions

What is the IUPAC name of (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 142846945) is (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is C[C@H]1C[C@@H](CN)n2c1ncc(N)c2=O.
What is the InChIKey of (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is MSNOKOUMBWQQFJ-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14/h4-6H,2-3,10-11H2,1H3/t5-,6-/m0/s1.
What are the key properties of (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142846945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).