N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine

C20H27N3O — CID 118739917

IUPACN-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C20H27N3O/c1-20(11-6-7-13-24-20)19-21-14-18(15-22-19)16-23(2)12-10-17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3
InChIKeyJQLHCTWTNUFXBW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.57
Rot. Bonds6

About N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine

N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine (PubChem CID 118739917) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine
PubChem CID118739917
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C20H27N3O/c1-20(11-6-7-13-24-20)19-21-14-18(15-22-19)16-23(2)12-10-17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3
InChIKeyJQLHCTWTNUFXBW-UHFFFAOYSA-N
XLogP3.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine (CID 118739917) is N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine is CN(CCc1ccccc1)Cc1cnc(C2(C)CCCCO2)nc1.
What is the InChIKey of N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine?
The InChIKey is JQLHCTWTNUFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-20(11-6-7-13-24-20)19-21-14-18(15-22-19)16-23(2)12-10-17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine?
N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine has a molecular weight of 325.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 118739917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).