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

C15H20N4O — CID 112883088

IUPAC2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nccc(Nc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O/c1-3-4-10-16-15-17-11-9-14(19-15)18-12-7-5-6-8-13(12)20-2/h5-9,11H,3-4,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyVUXBNTULXVXBGM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.44
Rot. Bonds7

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

2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112883088) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112883088
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nccc(Nc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O/c1-3-4-10-16-15-17-11-9-14(19-15)18-12-7-5-6-8-13(12)20-2/h5-9,11H,3-4,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyVUXBNTULXVXBGM-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)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-(2-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895300
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 112883088) is 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is CCCCNc1nccc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VUXBNTULXVXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-10-16-15-17-11-9-14(19-15)18-12-7-5-6-8-13(12)20-2/h5-9,11H,3-4,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-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 2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).