N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C16H21N3O — CID 61241131

IUPACN-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCCOc1cccc(CNc2cc(C(C)C)ncn2)c1
InChIInChI=1S/C16H21N3O/c1-4-20-14-7-5-6-13(8-14)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyKTZGJZAFGOAZGY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.61
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61241131) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61241131
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCCOc1cccc(CNc2cc(C(C)C)ncn2)c1
InChIInChI=1S/C16H21N3O/c1-4-20-14-7-5-6-13(8-14)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyKTZGJZAFGOAZGY-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
CID 80647155
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
4-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 61240544
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
[6-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264649
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 61241131) is N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CCOc1cccc(CNc2cc(C(C)C)ncn2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is KTZGJZAFGOAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-20-14-7-5-6-13(8-14)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61241131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).