6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine

C15H20N4O — CID 112855188

IUPAC6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccccc2OC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-4-9-16-14-10-15(18-11-17-14)19-12-7-5-6-8-13(12)20-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeySIVBYVVLMPREIA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.44
Rot. Bonds7

About 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine

6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112855188) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112855188
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccccc2OC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-4-9-16-14-10-15(18-11-17-14)19-12-7-5-6-8-13(12)20-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeySIVBYVVLMPREIA-UHFFFAOYSA-N
XLogP3.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
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

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (CID 112855188) is 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccccc2OC)ncn1.
What is the InChIKey of 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is SIVBYVVLMPREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-9-16-14-10-15(18-11-17-14)19-12-7-5-6-8-13(12)20-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).