5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine

C13H18ClN5O — CID 80877691

IUPAC5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18ClN5O/c1-5-6-15-13-16-7-10(14)12(17-13)20-11-8(2)18-19(4)9(11)3/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyRKLQHWCVVZUQOR-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.09
Rot. Bonds5

About 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine

5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine (PubChem CID 80877691) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
PubChem CID80877691
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18ClN5O/c1-5-6-15-13-16-7-10(14)12(17-13)20-11-8(2)18-19(4)9(11)3/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyRKLQHWCVVZUQOR-UHFFFAOYSA-N
XLogP3.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877277
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
4-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 81346874
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532
2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 114044150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The IUPAC name of 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine (CID 80877691) is 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine is CCCNc1ncc(Cl)c(Oc2c(C)nn(C)c2C)n1.
What is the InChIKey of 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The InChIKey is RKLQHWCVVZUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-5-6-15-13-16-7-10(14)12(17-13)20-11-8(2)18-19(4)9(11)3/h7H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine has a molecular weight of 295.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 80877691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).