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

C14H18N4O — CID 80794758

IUPAC4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CN(C)c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H18N4O/c1-10-13(15)16-9-17-14(10)18(2)8-11-4-6-12(19-3)7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,16,17)
InChIKeyVJPRYWHOXODJKP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds4

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

4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80794758) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80794758
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CN(C)c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H18N4O/c1-10-13(15)16-9-17-14(10)18(2)8-11-4-6-12(19-3)7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,16,17)
InChIKeyVJPRYWHOXODJKP-UHFFFAOYSA-N
XLogP2.01
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 35790116
4-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 66334683
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80794758) is 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine is COc1ccc(CN(C)c2ncnc(N)c2C)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is VJPRYWHOXODJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-13(15)16-9-17-14(10)18(2)8-11-4-6-12(19-3)7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.01, 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,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).