N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine

C16H21N3 — CID 133309382

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccc(CC(C)Nc2nccc(C)n2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-5-6-15(12(2)9-11)10-14(4)19-16-17-8-7-13(3)18-16/h5-9,14H,10H2,1-4H3,(H,17,18,19)
InChIKeyXTQZMPPBIADGBH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine

N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine (PubChem CID 133309382) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
PubChem CID133309382
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccc(CC(C)Nc2nccc(C)n2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-5-6-15(12(2)9-11)10-14(4)19-16-17-8-7-13(3)18-16/h5-9,14H,10H2,1-4H3,(H,17,18,19)
InChIKeyXTQZMPPBIADGBH-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine (CID 133309382) is N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine is Cc1ccc(CC(C)Nc2nccc(C)n2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine?
The InChIKey is XTQZMPPBIADGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-5-6-15(12(2)9-11)10-14(4)19-16-17-8-7-13(3)18-16/h5-9,14H,10H2,1-4H3,(H,17,18,19).
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine?
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133309382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).