2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide

C13H20N4O — CID 83072125

IUPAC2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2ccnc(C)n2)CCCN1
InChIInChI=1S/C13H20N4O/c1-3-13(6-4-7-16-13)12(18)15-9-11-5-8-14-10(2)17-11/h5,8,16H,3-4,6-7,9H2,1-2H3,(H,15,18)
InChIKeyGZMPYNVTEIMBOJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.93
Rot. Bonds4

About 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide

2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 83072125) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID83072125
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2ccnc(C)n2)CCCN1
InChIInChI=1S/C13H20N4O/c1-3-13(6-4-7-16-13)12(18)15-9-11-5-8-14-10(2)17-11/h5,8,16H,3-4,6-7,9H2,1-2H3,(H,15,18)
InChIKeyGZMPYNVTEIMBOJ-UHFFFAOYSA-N
XLogP0.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
trans-N-({1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl}methyl)-4-methylcyclohexanecarboxamide
CID 56744799
N~1~-{rel-(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}glycinamide hydrochloride
CID 72856353
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
N-{2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892424
4-(2-Methylpyrimidin-4-yl)pyrrolidin-2-one
CID 115529931
1-(4-Methylpyrimidin-2-YL)-N-(prop-2-EN-1-YL)piperidine-4-carboxamide
CID 3223198
1-(4-Methylpyrimidin-2-YL)-N-(prop-2-EN-1-YL)piperidine-3-carboxamide
CID 3223400
N-Cyclopentyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 3468284
1-(4-Methyl-2-pyrimidinyl)-N-[2-(1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 53031030

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide (CID 83072125) is 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCc2ccnc(C)n2)CCCN1.
What is the InChIKey of 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GZMPYNVTEIMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-13(6-4-7-16-13)12(18)15-9-11-5-8-14-10(2)17-11/h5,8,16H,3-4,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).