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

C13H26N4O — CID 142846944

IUPAC(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CC.C[C@H]1C[C@@H](CN)n2c1ncc(N)c2=O
InChIInChI=1S/C9H14N4O.2C2H6/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14;2*1-2/h4-6H,2-3,10-11H2,1H3;2*1-2H3/t5-,6-;;/m0../s1
InChIKeyGOALSBJYXBFGHF-USPAICOZSA-N
MW254.38 g/mol
LogP1.88
Rot. Bonds1

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

(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane (PubChem CID 142846944) has the molecular formula C13H26N4O and a molecular weight of 254.38 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;ethane.

Molecular Properties

Compound Name(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
PubChem CID142846944
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CC.C[C@H]1C[C@@H](CN)n2c1ncc(N)c2=O
InChIInChI=1S/C9H14N4O.2C2H6/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14;2*1-2/h4-6H,2-3,10-11H2,1H3;2*1-2H3/t5-,6-;;/m0../s1
InChIKeyGOALSBJYXBFGHF-USPAICOZSA-N
XLogP1.88
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136880707
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137000940
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142846945

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;ethane?
The IUPAC name of (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane (CID 142846944) is (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane.
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;ethane?
The canonical SMILES for (6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane is CC.CC.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;ethane?
The InChIKey is GOALSBJYXBFGHF-USPAICOZSA-N. The full InChI is InChI=1S/C9H14N4O.2C2H6/c1-5-2-6(3-10)13-8(5)12-4-7(11)9(13)14;2*1-2/h4-6H,2-3,10-11H2,1H3;2*1-2H3/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;ethane?
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 254.38 g/mol, XLogP of 1.88, 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;ethane is sourced from PubChem (CID 142846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).