2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine

C15H19N3 — CID 116897645

IUPAC2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
SMILESCc1ccc(-c2ccnc(C(C)(C)N)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-10-5-6-12(11(2)9-10)13-7-8-17-14(18-13)15(3,4)16/h5-9H,16H2,1-4H3
InChIKeyAPJMIMBPBXFSAP-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.95
Rot. Bonds2

About 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine

2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116897645) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
PubChem CID116897645
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
SMILESCc1ccc(-c2ccnc(C(C)(C)N)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-10-5-6-12(11(2)9-10)13-7-8-17-14(18-13)15(3,4)16/h5-9H,16H2,1-4H3
InChIKeyAPJMIMBPBXFSAP-UHFFFAOYSA-N
XLogP2.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine (CID 116897645) is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine is Cc1ccc(-c2ccnc(C(C)(C)N)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is APJMIMBPBXFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-5-6-12(11(2)9-10)13-7-8-17-14(18-13)15(3,4)16/h5-9H,16H2,1-4H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine?
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116897645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).