1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C15H25N5O — CID 80960742

IUPAC1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1cc(N2CCCC2C(=O)NC)nc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-17-12-9-13(19-14(18-12)10(2)3)20-8-6-7-11(20)15(21)16-4/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyHVHVCNCFUWJLMF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds5

About 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 80960742) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID80960742
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1cc(N2CCCC2C(=O)NC)nc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-17-12-9-13(19-14(18-12)10(2)3)20-8-6-7-11(20)15(21)16-4/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyHVHVCNCFUWJLMF-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414
1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80785772
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122051785
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 80960742) is 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CCNc1cc(N2CCCC2C(=O)NC)nc(C(C)C)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HVHVCNCFUWJLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-17-12-9-13(19-14(18-12)10(2)3)20-8-6-7-11(20)15(21)16-4/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80960742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).