2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine

C15H20N4O — CID 80794622

IUPAC2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-10-9-14(18-15)19(2)11-12-5-7-13(20-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,16,17,18)
InChIKeyZBPKMCDPUUUMEW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds6

About 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80794622) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80794622
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-10-9-14(18-15)19(2)11-12-5-7-13(20-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,16,17,18)
InChIKeyZBPKMCDPUUUMEW-UHFFFAOYSA-N
XLogP2.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80794827
N-[(4-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 165435434
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 80794622) is 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is CCNc1nccc(N(C)Cc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZBPKMCDPUUUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-15-17-10-9-14(18-15)19(2)11-12-5-7-13(20-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).