4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine

C17H18N4 — CID 80967290

IUPAC4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H18N4/c1-11(2)17-20-15(18)10-16(21-17)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H3,18,19,20,21)
InChIKeyBJFSXYMGHMAXQC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.08
Rot. Bonds3

About 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967290) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967290
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H18N4/c1-11(2)17-20-15(18)10-16(21-17)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H3,18,19,20,21)
InChIKeyBJFSXYMGHMAXQC-UHFFFAOYSA-N
XLogP4.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-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-(3-chloro-4-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956194
4-N-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580802
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967447
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955939
4-N-naphthalen-2-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80793631
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967290) is 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BJFSXYMGHMAXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11(2)17-20-15(18)10-16(21-17)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).