6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine

C16H21N3O — CID 82453564

IUPAC6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-12(2)10-20-16-9-15(17-11-18-16)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,17,18,19)
InChIKeyMMGALDXIXIUGDY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds6

About 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine

6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 82453564) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID82453564
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-12(2)10-20-16-9-15(17-11-18-16)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,17,18,19)
InChIKeyMMGALDXIXIUGDY-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346
N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329975
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine (CID 82453564) is 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine is CC(C)COc1cc(NC(C)c2ccccc2)ncn1.
What is the InChIKey of 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is MMGALDXIXIUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)10-20-16-9-15(17-11-18-16)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine?
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82453564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).