6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C17H24N4 — CID 112855248

IUPAC6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(N(CC)c2cccc(C)c2)ncn1
InChIInChI=1S/C17H24N4/c1-4-6-10-18-16-12-17(20-13-19-16)21(5-2)15-9-7-8-14(3)11-15/h7-9,11-13H,4-6,10H2,1-3H3,(H,18,19,20)
InChIKeyLRHWTXUMPBMZRY-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.16
Rot. Bonds7

About 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112855248) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112855248
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(N(CC)c2cccc(C)c2)ncn1
InChIInChI=1S/C17H24N4/c1-4-6-10-18-16-12-17(20-13-19-16)21(5-2)15-9-7-8-14(3)11-15/h7-9,11-13H,4-6,10H2,1-3H3,(H,18,19,20)
InChIKeyLRHWTXUMPBMZRY-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112867195
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112869812
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80816541
4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880369
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112855248) is 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CCCCNc1cc(N(CC)c2cccc(C)c2)ncn1.
What is the InChIKey of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is LRHWTXUMPBMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-10-18-16-12-17(20-13-19-16)21(5-2)15-9-7-8-14(3)11-15/h7-9,11-13H,4-6,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).