4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C17H24N4 — CID 80772920

IUPAC4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C17H24N4/c1-4-6-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyPAHBZAGSYUOOGX-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.17
Rot. Bonds7

About 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80772920) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80772920
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C17H24N4/c1-4-6-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyPAHBZAGSYUOOGX-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80772920) is 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCCCc1ccc(Nc2ncnc(NC)c2CC)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PAHBZAGSYUOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).