5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine

C16H21N3O2 — CID 80874994

IUPAC5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2ncnc(N)c2C(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-9-20-12-5-7-13(8-6-12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyYEDVRIYVLDVSEV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.76
Rot. Bonds6

About 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine

5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80874994) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80874994
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2ncnc(N)c2C(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-9-20-12-5-7-13(8-6-12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyYEDVRIYVLDVSEV-UHFFFAOYSA-N
XLogP3.76
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
6-(3-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80880750
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine (CID 80874994) is 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccc(Oc2ncnc(N)c2C(C)C)cc1.
What is the InChIKey of 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is YEDVRIYVLDVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-20-12-5-7-13(8-6-12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80874994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).