6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine

C13H19N5O — CID 116806487

IUPAC6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-12-16-11(14)6-13(17-12)19-10-7-15-18(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyXBWFOSYTIQONLE-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.58
Rot. Bonds5

About 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine

6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine (PubChem CID 116806487) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
PubChem CID116806487
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-12-16-11(14)6-13(17-12)19-10-7-15-18(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyXBWFOSYTIQONLE-UHFFFAOYSA-N
XLogP2.58
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720115
[2-(ethoxymethyl)-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806923
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
CID 116801019
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179
2-propylpyrimidine-4,6-diamine
CID 67304918
2-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 114768253
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
CID 116801169

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine (CID 116806487) is 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine?
The InChIKey is XBWFOSYTIQONLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-5-12-16-11(14)6-13(17-12)19-10-7-15-18(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,17).
What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine?
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 116806487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).