2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide

C26H41N5O — CID 146419926

IUPAC2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CCC(C)CC)c2cccc(CCCCCNC)c2)c(C)n1
InChIInChI=1S/C26H41N5O/c1-6-20(3)15-17-31(25(32)24-19-29-26(28-7-2)30-21(24)4)23-14-11-13-22(18-23)12-9-8-10-16-27-5/h11,13-14,18-20,27H,6-10,12,15-17H2,1-5H3,(H,28,29,30)
InChIKeyTXKUVUAUNKPESM-UHFFFAOYSA-N
MW439.65 g/mol
LogP5.23
Rot. Bonds14

About 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide

2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide (PubChem CID 146419926) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide
PubChem CID146419926
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC Name2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CCC(C)CC)c2cccc(CCCCCNC)c2)c(C)n1
InChIInChI=1S/C26H41N5O/c1-6-20(3)15-17-31(25(32)24-19-29-26(28-7-2)30-21(24)4)23-14-11-13-22(18-23)12-9-8-10-16-27-5/h11,13-14,18-20,27H,6-10,12,15-17H2,1-5H3,(H,28,29,30)
InChIKeyTXKUVUAUNKPESM-UHFFFAOYSA-N
XLogP5.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide (CID 146419926) is 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(CCC(C)CC)c2cccc(CCCCCNC)c2)c(C)n1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide?
The InChIKey is TXKUVUAUNKPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O/c1-6-20(3)15-17-31(25(32)24-19-29-26(28-7-2)30-21(24)4)23-14-11-13-22(18-23)12-9-8-10-16-27-5/h11,13-14,18-20,27H,6-10,12,15-17H2,1-5H3,(H,28,29,30).
What are the key properties of 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide?
2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide has a molecular weight of 439.65 g/mol, XLogP of 5.23, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[3-[5-(methylamino)pentyl]phenyl]-N-(3-methylpentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 146419926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).