4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine

C18H26N4 — CID 112879814

IUPAC4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-5-22(6-2)17-12-16(19-13-14(3)4)20-18(21-17)15-10-8-7-9-11-15/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21)
InChIKeyYHGKSWFRABMITE-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.06
Rot. Bonds7

About 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine

4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879814) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879814
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-5-22(6-2)17-12-16(19-13-14(3)4)20-18(21-17)15-10-8-7-9-11-15/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21)
InChIKeyYHGKSWFRABMITE-UHFFFAOYSA-N
XLogP4.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-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

4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
N-ethyl-6-hydrazinyl-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 115916099
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881558
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
CID 112881588
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
N-[4-[[6-(diethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881584
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879831

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine (CID 112879814) is 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine is CCN(CC)c1cc(NCC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is YHGKSWFRABMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-22(6-2)17-12-16(19-13-14(3)4)20-18(21-17)15-10-8-7-9-11-15/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).