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

C18H26N4O — CID 112921378

IUPAC4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)17-13-14(3)20-18(21-17)19-12-11-15-7-9-16(23-4)10-8-15/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21)
InChIKeyCQXMLRUSLPNJKX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.29
Rot. Bonds8

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

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112921378) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112921378
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)17-13-14(3)20-18(21-17)19-12-11-15-7-9-16(23-4)10-8-15/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21)
InChIKeyCQXMLRUSLPNJKX-UHFFFAOYSA-N
XLogP3.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112921410
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921398
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112921378) is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is CQXMLRUSLPNJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-22(6-2)17-13-14(3)20-18(21-17)19-12-11-15-7-9-16(23-4)10-8-15/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112921378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).