2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine

C17H23N3 — CID 116897983

IUPAC2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine
SMILESCc1cc(C)c(-c2ccnc(C(C)(C)CN)n2)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)14-6-7-19-16(20-14)17(4,5)10-18/h6-9H,10,18H2,1-5H3
InChIKeySURSOVRRBLJPBI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.31
Rot. Bonds3

About 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine

2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116897983) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine
PubChem CID116897983
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine
SMILESCc1cc(C)c(-c2ccnc(C(C)(C)CN)n2)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)14-6-7-19-16(20-14)17(4,5)10-18/h6-9H,10,18H2,1-5H3
InChIKeySURSOVRRBLJPBI-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine (CID 116897983) is 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine is Cc1cc(C)c(-c2ccnc(C(C)(C)CN)n2)c(C)c1.
What is the InChIKey of 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is SURSOVRRBLJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)14-6-7-19-16(20-14)17(4,5)10-18/h6-9H,10,18H2,1-5H3.
What are the key properties of 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine?
2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116897983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).