4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine

C21H24N4O2 — CID 83284553

IUPAC4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine
SMILESCOc1cc(C)ccc1Oc1nc(C)nc(N(C)Cc2ccccc2)c1N
InChIInChI=1S/C21H24N4O2/c1-14-10-11-17(18(12-14)26-4)27-21-19(22)20(23-15(2)24-21)25(3)13-16-8-6-5-7-9-16/h5-12H,13,22H2,1-4H3
InChIKeyYLKPDZSGZHRCBL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.11
Rot. Bonds6

About 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine

4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine (PubChem CID 83284553) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine
PubChem CID83284553
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine
SMILESCOc1cc(C)ccc1Oc1nc(C)nc(N(C)Cc2ccccc2)c1N
InChIInChI=1S/C21H24N4O2/c1-14-10-11-17(18(12-14)26-4)27-21-19(22)20(23-15(2)24-21)25(3)13-16-8-6-5-7-9-16/h5-12H,13,22H2,1-4H3
InChIKeyYLKPDZSGZHRCBL-UHFFFAOYSA-N
XLogP4.11
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-amino-6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 91634378
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331
N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 39358275
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539473
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 113041329
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872258
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine (CID 83284553) is 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine is COc1cc(C)ccc1Oc1nc(C)nc(N(C)Cc2ccccc2)c1N.
What is the InChIKey of 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine?
The InChIKey is YLKPDZSGZHRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-10-11-17(18(12-14)26-4)27-21-19(22)20(23-15(2)24-21)25(3)13-16-8-6-5-7-9-16/h5-12H,13,22H2,1-4H3.
What are the key properties of 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine?
4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(2-methoxy-4-methylphenoxy)-4-N,2-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 83284553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).