5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine

C15H19N3 — CID 116977198

IUPAC5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cnc(NC(C)C)nc2)c(C)c1
InChIInChI=1S/C15H19N3/c1-10(2)18-15-16-8-13(9-17-15)14-6-5-11(3)7-12(14)4/h5-10H,1-4H3,(H,16,17,18)
InChIKeySPJWNDNLTABKOO-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.58
Rot. Bonds3

About 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine

5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 116977198) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID116977198
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cnc(NC(C)C)nc2)c(C)c1
InChIInChI=1S/C15H19N3/c1-10(2)18-15-16-8-13(9-17-15)14-6-5-11(3)7-12(14)4/h5-10H,1-4H3,(H,16,17,18)
InChIKeySPJWNDNLTABKOO-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977237
5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977236
2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
CID 143019155
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
3,5-dimethyl-N-propan-2-ylpyridin-2-amine
CID 130223836
1-[4-(2,4-dimethylphenyl)phenyl]ethanamine
CID 61033767
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
CID 141095214
7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 117000695
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine (CID 116977198) is 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine is Cc1ccc(-c2cnc(NC(C)C)nc2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is SPJWNDNLTABKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(2)18-15-16-8-13(9-17-15)14-6-5-11(3)7-12(14)4/h5-10H,1-4H3,(H,16,17,18).
What are the key properties of 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine?
5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 116977198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).