N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

C17H19N5O — CID 166296665

IUPACN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3ccccc3n2)cnn1C1CCOCC1
InChIInChI=1S/C17H19N5O/c1-12-16(11-19-22(12)14-6-8-23-9-7-14)21-17-18-10-13-4-2-3-5-15(13)20-17/h2-5,10-11,14H,6-9H2,1H3,(H,18,20,21)
InChIKeyYQKIXLXRIMAHPC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.23
Rot. Bonds3

About N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (PubChem CID 166296665) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
PubChem CID166296665
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3ccccc3n2)cnn1C1CCOCC1
InChIInChI=1S/C17H19N5O/c1-12-16(11-19-22(12)14-6-8-23-9-7-14)21-17-18-10-13-4-2-3-5-15(13)20-17/h2-5,10-11,14H,6-9H2,1H3,(H,18,20,21)
InChIKeyYQKIXLXRIMAHPC-UHFFFAOYSA-N
XLogP3.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The IUPAC name of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (CID 166296665) is N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The canonical SMILES for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is Cc1c(Nc2ncc3ccccc3n2)cnn1C1CCOCC1.
What is the InChIKey of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The InChIKey is YQKIXLXRIMAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-16(11-19-22(12)14-6-8-23-9-7-14)21-17-18-10-13-4-2-3-5-15(13)20-17/h2-5,10-11,14H,6-9H2,1H3,(H,18,20,21).
What are the key properties of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 166296665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).