1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H25N5O — CID 106322365

IUPAC1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1cc(N2CCC(C)(C(=O)NC)C2)nc(CC)n1
InChIInChI=1S/C15H25N5O/c1-5-11-18-12(17-6-2)9-13(19-11)20-8-7-15(3,10-20)14(21)16-4/h9H,5-8,10H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyULHMZNHNCOVSHZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322365) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322365
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1cc(N2CCC(C)(C(=O)NC)C2)nc(CC)n1
InChIInChI=1S/C15H25N5O/c1-5-11-18-12(17-6-2)9-13(19-11)20-8-7-15(3,10-20)14(21)16-4/h9H,5-8,10H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyULHMZNHNCOVSHZ-UHFFFAOYSA-N
XLogP1.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087
N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336
N,2-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80935088
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358998
1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322365) is 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide is CCNc1cc(N2CCC(C)(C(=O)NC)C2)nc(CC)n1.
What is the InChIKey of 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ULHMZNHNCOVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-11-18-12(17-6-2)9-13(19-11)20-8-7-15(3,10-20)14(21)16-4/h9H,5-8,10H2,1-4H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).