8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

C19H21N5O — CID 166632480

IUPAC8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESc1cc(C2CC2)c2nc(Nc3cnn(C4CCOCC4)c3)ncc2c1
InChIInChI=1S/C19H21N5O/c1-2-14-10-20-19(23-18(14)17(3-1)13-4-5-13)22-15-11-21-24(12-15)16-6-8-25-9-7-16/h1-3,10-13,16H,4-9H2,(H,20,22,23)
InChIKeyUUPGRQPPUFZDBW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.80
Rot. Bonds4

About 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (PubChem CID 166632480) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
PubChem CID166632480
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESc1cc(C2CC2)c2nc(Nc3cnn(C4CCOCC4)c3)ncc2c1
InChIInChI=1S/C19H21N5O/c1-2-14-10-20-19(23-18(14)17(3-1)13-4-5-13)22-15-11-21-24(12-15)16-6-8-25-9-7-16/h1-3,10-13,16H,4-9H2,(H,20,22,23)
InChIKeyUUPGRQPPUFZDBW-UHFFFAOYSA-N
XLogP3.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The IUPAC name of 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (CID 166632480) is 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The canonical SMILES for 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is c1cc(C2CC2)c2nc(Nc3cnn(C4CCOCC4)c3)ncc2c1.
What is the InChIKey of 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The InChIKey is UUPGRQPPUFZDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-14-10-20-19(23-18(14)17(3-1)13-4-5-13)22-15-11-21-24(12-15)16-6-8-25-9-7-16/h1-3,10-13,16H,4-9H2,(H,20,22,23).
What are the key properties of 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 166632480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).