2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine

C15H20N4O — CID 80981869

IUPAC2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O/c1-4-13-18-14(16)10(2)15(19-13)17-9-11-7-5-6-8-12(11)20-3/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyMCPSIHCHRKGHDN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds5

About 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine

2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 80981869) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
PubChem CID80981869
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O/c1-4-13-18-14(16)10(2)15(19-13)17-9-11-7-5-6-8-12(11)20-3/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyMCPSIHCHRKGHDN-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
2-ethyl-5-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80985493
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine (CID 80981869) is 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2ccccc2OC)n1.
What is the InChIKey of 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is MCPSIHCHRKGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13-18-14(16)10(2)15(19-13)17-9-11-7-5-6-8-12(11)20-3/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).