5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H28N4O — CID 62180898

IUPAC5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NC(C)C(C)CC
InChIInChI=1S/C16H28N4O/c1-7-11(5)12(6)19-16(21)14-13(17-8-2)9-18-15(20-14)10(3)4/h9-12,17H,7-8H2,1-6H3,(H,19,21)
InChIKeyMGDCTSRVUWEUFP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.20
Rot. Bonds7

About 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62180898) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62180898
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NC(C)C(C)CC
InChIInChI=1S/C16H28N4O/c1-7-11(5)12(6)19-16(21)14-13(17-8-2)9-18-15(20-14)10(3)4/h9-12,17H,7-8H2,1-6H3,(H,19,21)
InChIKeyMGDCTSRVUWEUFP-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167379
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62173236
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
5-(ethylamino)-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 62167205
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62179139
5-(ethylamino)-N-(oxan-4-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62170112
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62180898) is 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)NC(C)C(C)CC.
What is the InChIKey of 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MGDCTSRVUWEUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-7-11(5)12(6)19-16(21)14-13(17-8-2)9-18-15(20-14)10(3)4/h9-12,17H,7-8H2,1-6H3,(H,19,21).
What are the key properties of 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62180898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).