N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide

C20H26N4O — CID 109339385

IUPACN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C20H26N4O/c1-12(2)15-6-5-7-16(13(3)4)19(15)24-18-10-17(21-11-22-18)20(25)23-14-8-9-14/h5-7,10-14H,8-9H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyVXXQTPNJNPHROL-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.36
Rot. Bonds6

About N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide

N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109339385) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109339385
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C20H26N4O/c1-12(2)15-6-5-7-16(13(3)4)19(15)24-18-10-17(21-11-22-18)20(25)23-14-8-9-14/h5-7,10-14H,8-9H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyVXXQTPNJNPHROL-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]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

N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361130
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide (CID 109339385) is N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1cc(C(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is VXXQTPNJNPHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12(2)15-6-5-7-16(13(3)4)19(15)24-18-10-17(21-11-22-18)20(25)23-14-8-9-14/h5-7,10-14H,8-9H2,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109339385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).