4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine

C19H28N4 — CID 112864217

IUPAC4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H28N4/c1-6-7-12-23(5)18-13-17(20-14-21-18)22-16-10-8-15(9-11-16)19(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22)
InChIKeyKJKDMFZXGIVYJN-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.75
Rot. Bonds6

About 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine

4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112864217) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID112864217
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H28N4/c1-6-7-12-23(5)18-13-17(20-14-21-18)22-16-10-8-15(9-11-16)19(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22)
InChIKeyKJKDMFZXGIVYJN-UHFFFAOYSA-N
XLogP4.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine 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-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine (CID 112864217) is 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is KJKDMFZXGIVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-6-7-12-23(5)18-13-17(20-14-21-18)22-16-10-8-15(9-11-16)19(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22).
What are the key properties of 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).