N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C12H18N4O — CID 6625249

IUPACN-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-2-5-13-11(17)10-8-14-12(15-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyZPURCIZGXCXZQA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds4

About N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 6625249) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID6625249
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-2-5-13-11(17)10-8-14-12(15-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyZPURCIZGXCXZQA-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-5-carboxamide
CID 351819
4-Amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 70694174
4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
4-(cyclohexylmethylamino)-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488202
4-(cyclohexylmethylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488300
4-(cyclopentylamino)-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488379
4-(cyclopentylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488434
4-(cyclopentylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488506
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
4-(cyclohexylmethylamino)-2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488715

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 6625249) is N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZPURCIZGXCXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-5-13-11(17)10-8-14-12(15-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 6625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).