1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C15H25N5O — CID 80785472

IUPAC1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCNc1ncnc(N2CCCC2C(=O)NC)c1CC
InChIInChI=1S/C15H25N5O/c1-4-8-17-13-11(5-2)14(19-10-18-13)20-9-6-7-12(20)15(21)16-3/h10,12H,4-9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyITFXPLBTMRHCHG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.58
Rot. Bonds6

About 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 80785472) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID80785472
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCNc1ncnc(N2CCCC2C(=O)NC)c1CC
InChIInChI=1S/C15H25N5O/c1-4-8-17-13-11(5-2)14(19-10-18-13)20-9-6-7-12(20)15(21)16-3/h10,12H,4-9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyITFXPLBTMRHCHG-UHFFFAOYSA-N
XLogP1.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80791082
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 80785472) is 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CCCNc1ncnc(N2CCCC2C(=O)NC)c1CC.
What is the InChIKey of 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ITFXPLBTMRHCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-8-17-13-11(5-2)14(19-10-18-13)20-9-6-7-12(20)15(21)16-3/h10,12H,4-9H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80785472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).