1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

C10H15N5O2 — CID 136954396

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H15N5O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4,11H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyTVHSFUPGLXKJPO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.95
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 136954396) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID136954396
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H15N5O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4,11H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyTVHSFUPGLXKJPO-UHFFFAOYSA-N
XLogP-0.95
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734042
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794218
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794219
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794220
5-amino-4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136794222
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794238
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843225
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864277
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876795

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (CID 136954396) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is TVHSFUPGLXKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4,11H2,1H3,(H2,12,17)(H,13,14,16).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136954396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).