2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C16H21N3 — CID 62904201

IUPAC2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Cc2nc(N)cc(C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19)
InChIKeyYINFWLBUJYXLOP-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.39
Rot. Bonds3

About 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62904201) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID62904201
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Cc2nc(N)cc(C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19)
InChIKeyYINFWLBUJYXLOP-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 62904201) is 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is Cc1ccc(Cc2nc(N)cc(C(C)C)n2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YINFWLBUJYXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62904201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).