6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine

C16H21N3O — CID 80863993

IUPAC6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(C(C)C)c2)ncn1
InChIInChI=1S/C16H21N3O/c1-4-8-17-15-10-16(19-11-18-15)20-14-7-5-6-13(9-14)12(2)3/h5-7,9-12H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyZXKFYLQQTAUIIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.21
Rot. Bonds6

About 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine

6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80863993) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80863993
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(C(C)C)c2)ncn1
InChIInChI=1S/C16H21N3O/c1-4-8-17-15-10-16(19-11-18-15)20-14-7-5-6-13(9-14)12(2)3/h5-7,9-12H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyZXKFYLQQTAUIIB-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
N-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874681
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine (CID 80863993) is 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2cccc(C(C)C)c2)ncn1.
What is the InChIKey of 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is ZXKFYLQQTAUIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-17-15-10-16(19-11-18-15)20-14-7-5-6-13(9-14)12(2)3/h5-7,9-12H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80863993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).