4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine

C15H20N4O — CID 80794484

IUPAC4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CN(C)c2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4O/c1-10-14(16)17-11(2)18-15(10)19(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H2,16,17,18)
InChIKeyYZLCYEKSZJPVBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds4

About 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80794484) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80794484
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CN(C)c2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4O/c1-10-14(16)17-11(2)18-15(10)19(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H2,16,17,18)
InChIKeyYZLCYEKSZJPVBS-UHFFFAOYSA-N
XLogP2.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
6-hydrazinyl-N,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 80932334
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine
CID 171483434

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80794484) is 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine is COc1ccc(CN(C)c2nc(C)nc(N)c2C)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YZLCYEKSZJPVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-14(16)17-11(2)18-15(10)19(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).