1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C14H23N5O — CID 80805785

IUPAC1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1nc(C)nc(N2CCCC2C(=O)NC)c1C
InChIInChI=1S/C14H23N5O/c1-5-16-12-9(2)13(18-10(3)17-12)19-8-6-7-11(19)14(20)15-4/h11H,5-8H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyKKNIPKGYYHMCHX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds4

About 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 80805785) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID80805785
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1nc(C)nc(N2CCCC2C(=O)NC)c1C
InChIInChI=1S/C14H23N5O/c1-5-16-12-9(2)13(18-10(3)17-12)19-8-6-7-11(19)14(20)15-4/h11H,5-8H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyKKNIPKGYYHMCHX-UHFFFAOYSA-N
XLogP1.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80994938
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640740
N-ethyl-6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 104693040
1-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80987630
1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986923
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80971406
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986924
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80838425

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 80805785) is 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CCNc1nc(C)nc(N2CCCC2C(=O)NC)c1C.
What is the InChIKey of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KKNIPKGYYHMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-16-12-9(2)13(18-10(3)17-12)19-8-6-7-11(19)14(20)15-4/h11H,5-8H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80805785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).