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

C15H20N4O — CID 80934372

IUPAC2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccccc2COC)n1
InChIInChI=1S/C15H20N4O/c1-4-13-18-14(16-2)9-15(19-13)17-12-8-6-5-7-11(12)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQJIQQQXDPWLUIE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.97
Rot. Bonds6

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

2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80934372) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80934372
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccccc2COC)n1
InChIInChI=1S/C15H20N4O/c1-4-13-18-14(16-2)9-15(19-13)17-12-8-6-5-7-11(12)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQJIQQQXDPWLUIE-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80801480
4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638612
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80933910
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
4-N-[(2-chlorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933100
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890
2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
CID 62178501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine (CID 80934372) is 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2ccccc2COC)n1.
What is the InChIKey of 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QJIQQQXDPWLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13-18-14(16-2)9-15(19-13)17-12-8-6-5-7-11(12)10-20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.97, 6 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-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).