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

C9H13N5O2 — CID 136794230

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H13N5O2/c10-6-8(12-4-13-9(6)16)14-2-1-5(3-14)7(11)15/h4-5H,1-3,10H2,(H2,11,15)(H,12,13,16)
InChIKeyFMQVRRWOSGVJIB-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.34
Rot. Bonds2

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136794230) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136794230
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H13N5O2/c10-6-8(12-4-13-9(6)16)14-2-1-5(3-14)7(11)15/h4-5H,1-3,10H2,(H2,11,15)(H,12,13,16)
InChIKeyFMQVRRWOSGVJIB-UHFFFAOYSA-N
XLogP-1.34
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 136477530
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671886
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-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689861
5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734042
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794216

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136794230) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is FMQVRRWOSGVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-6-8(12-4-13-9(6)16)14-2-1-5(3-14)7(11)15/h4-5H,1-3,10H2,(H2,11,15)(H,12,13,16).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -1.34, 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)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136794230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).