4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine

C14H17N3 — CID 62958041

IUPAC4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
SMILESCc1ccc(C(C)Nc2nccc(C)n2)cc1
InChIInChI=1S/C14H17N3/c1-10-4-6-13(7-5-10)12(3)17-14-15-9-8-11(2)16-14/h4-9,12H,1-3H3,(H,15,16,17)
InChIKeyAGHMOIHMHOWKCZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.27
Rot. Bonds3

About 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine

4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 62958041) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
PubChem CID62958041
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
SMILESCc1ccc(C(C)Nc2nccc(C)n2)cc1
InChIInChI=1S/C14H17N3/c1-10-4-6-13(7-5-10)12(3)17-14-15-9-8-11(2)16-14/h4-9,12H,1-3H3,(H,15,16,17)
InChIKeyAGHMOIHMHOWKCZ-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
CID 133309382
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 116795499
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine (CID 62958041) is 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine is Cc1ccc(C(C)Nc2nccc(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is AGHMOIHMHOWKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-4-6-13(7-5-10)12(3)17-14-15-9-8-11(2)16-14/h4-9,12H,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine?
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 62958041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).