5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H26ClN3O — CID 62015370

IUPAC5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3
InChIKeyIFWKJWQBQFVDTH-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.01
Rot. Bonds6

About 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62015370) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62015370
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3
InChIKeyIFWKJWQBQFVDTH-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N,N-bis(2-methylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62015370) is 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is IFWKJWQBQFVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3.
What are the key properties of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62015370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).