5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine

C13H14ClN3O — CID 80879754

IUPAC5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
SMILESCCCc1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyQZCDVKOVHXLGBC-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.46
Rot. Bonds4

About 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine

5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine (PubChem CID 80879754) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
PubChem CID80879754
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
SMILESCCCc1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyQZCDVKOVHXLGBC-UHFFFAOYSA-N
XLogP3.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874158
6-chloro-2-(4-propylphenoxy)pyridin-3-amine
CID 115474531
4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
CID 80881851
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710
5-methyl-2-(4-propylphenoxy)pyridin-3-amine
CID 66281105
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
5-bromo-6-(4-propylphenoxy)pyridin-3-amine
CID 79534763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine (CID 80879754) is 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine is CCCc1ccc(Oc2nc(N)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine?
The InChIKey is QZCDVKOVHXLGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine?
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).