N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C14H22N4O — CID 109321600

IUPACN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-4-17(5-2)13(19)12-10-11(3)15-14(16-12)18-8-6-7-9-18/h10H,4-9H2,1-3H3
InChIKeyHFTRGYNZXQRLKN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.87
Rot. Bonds4

About N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109321600) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109321600
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-4-17(5-2)13(19)12-10-11(3)15-14(16-12)18-8-6-7-9-18/h10H,4-9H2,1-3H3
InChIKeyHFTRGYNZXQRLKN-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731013
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92613530
N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109326326
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
2-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methylpyrimidine-4-carboxamide
CID 71689441
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322286
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109321600) is N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(N2CCCC2)n1.
What is the InChIKey of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is HFTRGYNZXQRLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-17(5-2)13(19)12-10-11(3)15-14(16-12)18-8-6-7-9-18/h10H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).