4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C15H21N5O — CID 44591735

IUPAC4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCOCC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-6-3-13(19-15)12-9-17-20-14(12)11-4-7-21-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeySRZUMCBVXNGXNY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.58
Rot. Bonds4

About 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 44591735) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID44591735
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCOCC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-6-3-13(19-15)12-9-17-20-14(12)11-4-7-21-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeySRZUMCBVXNGXNY-UHFFFAOYSA-N
XLogP2.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 44591735) is 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2cn[nH]c2C2CCOCC2)n1.
What is the InChIKey of 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is SRZUMCBVXNGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-3-13(19-15)12-9-17-20-14(12)11-4-7-21-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxan-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 44591735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).