4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C14H18N4O — CID 115265439

IUPAC4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(OC)c(C)c2)ncn1
InChIInChI=1S/C14H18N4O/c1-10-7-11(5-6-12(10)19-4)18(3)14-8-13(15-2)16-9-17-14/h5-9H,1-4H3,(H,15,16,17)
InChIKeyQGIDVVLICBGLEY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds4

About 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 115265439) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID115265439
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(OC)c(C)c2)ncn1
InChIInChI=1S/C14H18N4O/c1-10-7-11(5-6-12(10)19-4)18(3)14-8-13(15-2)16-9-17-14/h5-9H,1-4H3,(H,15,16,17)
InChIKeyQGIDVVLICBGLEY-UHFFFAOYSA-N
XLogP2.60
TPSA50.28 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265440
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
4-N,6-N-dimethyl-4-N-(2,4,5-trimethylphenyl)pyrimidine-4,6-diamine
CID 115265462
4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine
CID 115265487
5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
CID 115265454
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
4-N-(5-chlorothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265446
6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908091
4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265447
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 115265439) is 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)c2ccc(OC)c(C)c2)ncn1.
What is the InChIKey of 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is QGIDVVLICBGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-7-11(5-6-12(10)19-4)18(3)14-8-13(15-2)16-9-17-14/h5-9H,1-4H3,(H,15,16,17).
What are the key properties of 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).