1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

C16H21N3O — CID 62759306

IUPAC1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ccncn2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-6-4-14(5-7-16)13(3)18-10-15-8-9-17-11-19-15/h4-9,11-13,18H,10H2,1-3H3
InChIKeyUOANPQQLMHAIPR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62759306) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62759306
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ccncn2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-6-4-14(5-7-16)13(3)18-10-15-8-9-17-11-19-15/h4-9,11-13,18H,10H2,1-3H3
InChIKeyUOANPQQLMHAIPR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103907028
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62759306) is 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2ccncn2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is UOANPQQLMHAIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-16-6-4-14(5-7-16)13(3)18-10-15-8-9-17-11-19-15/h4-9,11-13,18H,10H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).