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

C13H19N5O — CID 80877277

IUPACN-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1nccc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19N5O/c1-5-7-14-13-15-8-6-11(16-13)19-12-9(2)17-18(4)10(12)3/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyBSIXTCLLYPDSIR-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.44
Rot. Bonds5

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

N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine (PubChem CID 80877277) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
PubChem CID80877277
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCNc1nccc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19N5O/c1-5-7-14-13-15-8-6-11(16-13)19-12-9(2)17-18(4)10(12)3/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyBSIXTCLLYPDSIR-UHFFFAOYSA-N
XLogP2.44
TPSA64.86 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The IUPAC name of N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine (CID 80877277) is N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine is CCCNc1nccc(Oc2c(C)nn(C)c2C)n1.
What is the InChIKey of N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
The InChIKey is BSIXTCLLYPDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-7-14-13-15-8-6-11(16-13)19-12-9(2)17-18(4)10(12)3/h6,8H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine?
N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 80877277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).