4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C14H18N4O — CID 107855538

IUPAC4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1cccc(CCNc2cc(N)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15)9-14(18-10)16-7-6-11-4-3-5-12(8-11)19-2/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyYCMUHCUYZPJBQO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds5

About 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 107855538) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID107855538
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1cccc(CCNc2cc(N)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15)9-14(18-10)16-7-6-11-4-3-5-12(8-11)19-2/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyYCMUHCUYZPJBQO-UHFFFAOYSA-N
XLogP2.03
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245
4-N-(4-chlorophenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874228
6-N-[2-(3-methoxyphenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874243
4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874246
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874229
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876724
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 107855538) is 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is COc1cccc(CCNc2cc(N)nc(C)n2)c1.
What is the InChIKey of 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is YCMUHCUYZPJBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-17-13(15)9-14(18-10)16-7-6-11-4-3-5-12(8-11)19-2/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107855538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).