N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine

C13H19N5O — CID 116806272

IUPACN-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C13H19N5O/c1-3-6-14-13-15-7-5-12(17-13)19-11-9-16-18(10-11)8-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyCJJXYQDLILEDBS-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.70
Rot. Bonds7

About N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine

N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine (PubChem CID 116806272) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
PubChem CID116806272
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C13H19N5O/c1-3-6-14-13-15-7-5-12(17-13)19-11-9-16-18(10-11)8-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyCJJXYQDLILEDBS-UHFFFAOYSA-N
XLogP2.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806326
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877277
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The IUPAC name of N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine (CID 116806272) is N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine is CCCNc1nccc(Oc2cnn(CCC)c2)n1.
What is the InChIKey of N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The InChIKey is CJJXYQDLILEDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-6-14-13-15-7-5-12(17-13)19-11-9-16-18(10-11)8-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17).
What are the key properties of N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 116806272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).