2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one

C9H15N5O2 — CID 139062115

IUPAC2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Nc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H9NO.C4H6N4O/c1-6-4-2-3-5(6)7;5-2-1-3(9)8-4(6)7-2/h2-4H2,1H3;1H,(H5,5,6,7,8,9)
InChIKeyANRTWNVTDJMXSZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.83
Rot. Bonds

About 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one

2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one (PubChem CID 139062115) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one
PubChem CID139062115
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Nc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H9NO.C4H6N4O/c1-6-4-2-3-5(6)7;5-2-1-3(9)8-4(6)7-2/h2-4H2,1H3;1H,(H5,5,6,7,8,9)
InChIKeyANRTWNVTDJMXSZ-UHFFFAOYSA-N
XLogP-0.83
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-(pyrrolidin-1-yl)pyrimidin-4(1H)-one
CID 135587489
6-Aminouracil 1-methylpyrrolidin-2-one monosolvate
CID 139061700
2-amino-6-methylpyrimidin-4(3H)-one-2-amino-6-methylpyrimidin-\ 4(1H)-one-N-methyl-2-pyrrolidone (1/1/1)
CID 168307946
2-amino-4-hydroxy-1H-pyrimidin-6-one;1-(3-aminopropyl)pyrrolidin-2-one
CID 161852731
2-Amino-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84665523
2-amino-6-pyrrolidin-1-ylpyrimidin-4(3H)-one
CID 136316412
2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136572862
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794229
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794238
1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 136834803
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864282

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one?
The IUPAC name of 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one (CID 139062115) is 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one.
What is the SMILES notation for 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one?
The canonical SMILES for 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one is CN1CCCC1=O.Nc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one?
The InChIKey is ANRTWNVTDJMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H6N4O/c1-6-4-2-3-5(6)7;5-2-1-3(9)8-4(6)7-2/h2-4H2,1H3;1H,(H5,5,6,7,8,9).
What are the key properties of 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one?
2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1H-pyrimidin-6-one;1-methylpyrrolidin-2-one is sourced from PubChem (CID 139062115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).