5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine

C11H13N5O — CID 67224091

IUPAC5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cnn(C3CCOC3)c2)cn1
InChIInChI=1S/C11H13N5O/c12-11-13-3-8(4-14-11)9-5-15-16(6-9)10-1-2-17-7-10/h3-6,10H,1-2,7H2,(H2,12,13,14)
InChIKeyPYGSPIXUZSDPJJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds2

About 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine

5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 67224091) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID67224091
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cnn(C3CCOC3)c2)cn1
InChIInChI=1S/C11H13N5O/c12-11-13-3-8(4-14-11)9-5-15-16(6-9)10-1-2-17-7-10/h3-6,10H,1-2,7H2,(H2,12,13,14)
InChIKeyPYGSPIXUZSDPJJ-UHFFFAOYSA-N
XLogP0.88
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 67224091) is 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cnn(C3CCOC3)c2)cn1.
What is the InChIKey of 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is PYGSPIXUZSDPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11-13-3-8(4-14-11)9-5-15-16(6-9)10-1-2-17-7-10/h3-6,10H,1-2,7H2,(H2,12,13,14).
What are the key properties of 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 231.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 67224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).