2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine

C15H20N4O — CID 80801480

IUPAC2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2ccccc2COC)n1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-11(2)9-14(19-15)18-13-8-6-5-7-12(13)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPMOFNCPCRPDWIC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.11
Rot. Bonds6

About 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 80801480) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID80801480
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2ccccc2COC)n1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-11(2)9-14(19-15)18-13-8-6-5-7-12(13)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPMOFNCPCRPDWIC-UHFFFAOYSA-N
XLogP3.11
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 107638886
4-N-(2-chlorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921067
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine (CID 80801480) is 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(Nc2ccccc2COC)n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is PMOFNCPCRPDWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-15-17-11(2)9-14(19-15)18-13-8-6-5-7-12(13)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).