4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C24H30N4O — CID 112921209

IUPAC4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nc(C)cc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C24H30N4O/c1-18(2)28(17-21-9-6-5-7-10-21)23-15-19(3)26-24(27-23)25-14-13-20-11-8-12-22(16-20)29-4/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,25,26,27)
InChIKeyNJMVKLRITIRJRE-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.86
Rot. Bonds9

About 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112921209) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112921209
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nc(C)cc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C24H30N4O/c1-18(2)28(17-21-9-6-5-7-10-21)23-15-19(3)26-24(27-23)25-14-13-20-11-8-12-22(16-20)29-4/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,25,26,27)
InChIKeyNJMVKLRITIRJRE-UHFFFAOYSA-N
XLogP4.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921378
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
2-N-(3-methoxyphenyl)-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921166
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112921209) is 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is COc1cccc(CCNc2nc(C)cc(N(Cc3ccccc3)C(C)C)n2)c1.
What is the InChIKey of 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NJMVKLRITIRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(2)28(17-21-9-6-5-7-10-21)23-15-19(3)26-24(27-23)25-14-13-20-11-8-12-22(16-20)29-4/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,25,26,27).
What are the key properties of 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 390.53 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112921209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).