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

C13H19N5O — CID 116806571

IUPAC4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-6-14-13-15-7-5-12(17-13)19-11-8-16-18(9-11)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyGKBRBFGWMDOOPL-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.87
Rot. Bonds6

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

4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (PubChem CID 116806571) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
PubChem CID116806571
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-6-14-13-15-7-5-12(17-13)19-11-8-16-18(9-11)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyGKBRBFGWMDOOPL-UHFFFAOYSA-N
XLogP2.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806620
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806326
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 116803068
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (CID 116806571) is 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The InChIKey is GKBRBFGWMDOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-6-14-13-15-7-5-12(17-13)19-11-8-16-18(9-11)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 116806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).