2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

C9H14N4O — CID 142932958

IUPAC2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.Cn1ccc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H8N4O.C2H6/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;1-2/h2-3H,1H3,(H3,8,9,10,12);1-2H3
InChIKeySSOMLNVYVVQAPQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.87
Rot. Bonds

About 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (PubChem CID 142932958) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
PubChem CID142932958
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.Cn1ccc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H8N4O.C2H6/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;1-2/h2-3H,1H3,(H3,8,9,10,12);1-2H3
InChIKeySSOMLNVYVVQAPQ-UHFFFAOYSA-N
XLogP0.87
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
CID 58122992
7-methyl-2-methylsulfanyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135485377
2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
CID 142113883
2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135475516
2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 166552112
7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58813306
2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 178059608
2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 142992937
2-amino-7-[(1S,2R,3R)-1-fluoro-2,4-dihydroxy-3-methoxybutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137213650
2-amino-7-[(2S,3R,4R,5S)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135546398
2-amino-7-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135506530
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The IUPAC name of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (CID 142932958) is 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is CC.Cn1ccc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The InChIKey is SSOMLNVYVVQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;1-2/h2-3H,1H3,(H3,8,9,10,12);1-2H3.
What are the key properties of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 142932958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).