4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C15H21N5O — CID 44591707

IUPAC4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCCOC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-6-5-13(19-15)12-8-17-20-14(12)11-4-3-7-21-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyGTRPPGMPULGRCP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.58
Rot. Bonds4

About 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 44591707) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID44591707
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCCOC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-6-5-13(19-15)12-8-17-20-14(12)11-4-3-7-21-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyGTRPPGMPULGRCP-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-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 44591707) is 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2cn[nH]c2C2CCCOC2)n1.
What is the InChIKey of 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is GTRPPGMPULGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-5-13(19-15)12-8-17-20-14(12)11-4-3-7-21-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(oxan-3-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-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 44591707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).