N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

C19H26N4O — CID 109340865

IUPACN-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1
InChIInChI=1S/C19H26N4O/c1-6-14(5)22-19(24)16-10-17(21-11-20-16)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyPONQFGZXXXCDRK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.18
Rot. Bonds6

About N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109340865) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109340865
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1
InChIInChI=1S/C19H26N4O/c1-6-14(5)22-19(24)16-10-17(21-11-20-16)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyPONQFGZXXXCDRK-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-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

6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109340865) is N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1.
What is the InChIKey of N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is PONQFGZXXXCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-14(5)22-19(24)16-10-17(21-11-20-16)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,22,24)(H,20,21,23).
What are the key properties of N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).