4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C14H18N4O — CID 80794760

IUPAC4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-9-8-13(17-14)18(2)10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyPQEHITMJUAUAAA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds5

About 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80794760) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80794760
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-9-8-13(17-14)18(2)10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyPQEHITMJUAUAAA-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
N-[(4-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 165435434
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899795
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62294612
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80794760) is 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1nccc(N(C)Cc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is PQEHITMJUAUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-16-9-8-13(17-14)18(2)10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.16, 5 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]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).