4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine

C17H24N4 — CID 112864104

IUPAC4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2cc(C)ccc2C)ncn1
InChIInChI=1S/C17H24N4/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-15-10-13(2)7-8-14(15)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyCPVFBRHFYYKNIP-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.44
Rot. Bonds7

About 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine

4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine (PubChem CID 112864104) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
PubChem CID112864104
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2cc(C)ccc2C)ncn1
InChIInChI=1S/C17H24N4/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-15-10-13(2)7-8-14(15)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyCPVFBRHFYYKNIP-UHFFFAOYSA-N
XLogP4.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864177
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine (CID 112864104) is 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine is CCCCCNc1cc(Nc2cc(C)ccc2C)ncn1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The InChIKey is CPVFBRHFYYKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-15-10-13(2)7-8-14(15)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).