4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine

C13H16N4O — CID 80769228

IUPAC4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1nc(C)nc(N)c1C
InChIInChI=1S/C13H16N4O/c1-8-12(14)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyUYNIVHLWESENPI-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.43
Rot. Bonds3

About 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80769228) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80769228
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1nc(C)nc(N)c1C
InChIInChI=1S/C13H16N4O/c1-8-12(14)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyUYNIVHLWESENPI-UHFFFAOYSA-N
XLogP2.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]benzonitrile
CID 80761209
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
2-methoxy-N-phenylaniline
CID 10910514
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 3077597
4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102472

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80769228) is 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine is COc1ccccc1Nc1nc(C)nc(N)c1C.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is UYNIVHLWESENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-12(14)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).