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

C11H16N4O — CID 20959348

IUPACN-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H16N4O/c1-2-12-10(16)9-7-13-11(14-8-9)15-5-3-4-6-15/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyFAIOHEWIIDZVEP-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.83
Rot. Bonds3

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

N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959348) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959348
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H16N4O/c1-2-12-10(16)9-7-13-11(14-8-9)15-5-3-4-6-15/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyFAIOHEWIIDZVEP-UHFFFAOYSA-N
XLogP0.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
Pyrimidine-5-carboxamide
CID 351819
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-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959348) is N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCNC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is FAIOHEWIIDZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-12-10(16)9-7-13-11(14-8-9)15-5-3-4-6-15/h7-8H,2-6H2,1H3,(H,12,16).
What are the key properties of N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).