(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine

C16H21N3 — CID 126441478

IUPAC(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine
SMILESCc1cc(C)nc(-c2ccc([C@@H](C)N(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-11-10-12(2)18-16(17-11)15-8-6-14(7-9-15)13(3)19(4)5/h6-10,13H,1-5H3/t13-/m1/s1
InChIKeyYPMYVDAKRLPCHS-CYBMUJFWSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds3

About (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine

(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 126441478) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine
PubChem CID126441478
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine
SMILESCc1cc(C)nc(-c2ccc([C@@H](C)N(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-11-10-12(2)18-16(17-11)15-8-6-14(7-9-15)13(3)19(4)5/h6-10,13H,1-5H3/t13-/m1/s1
InChIKeyYPMYVDAKRLPCHS-CYBMUJFWSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine (CID 126441478) is (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine is Cc1cc(C)nc(-c2ccc([C@@H](C)N(C)C)cc2)n1.
What is the InChIKey of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is YPMYVDAKRLPCHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-10-12(2)18-16(17-11)15-8-6-14(7-9-15)13(3)19(4)5/h6-10,13H,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine?
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 126441478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).