N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine

C13H13N5 — CID 58329313

IUPACN,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCNc1nc(C)c2cc(-c3cn[nH]c3)ccc2n1
InChIInChI=1S/C13H13N5/c1-8-11-5-9(10-6-15-16-7-10)3-4-12(11)18-13(14-2)17-8/h3-7H,1-2H3,(H,15,16)(H,14,17,18)
InChIKeyPFCBLBQRDCOMGD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.37
Rot. Bonds2

About N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine

N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 58329313) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID58329313
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCNc1nc(C)c2cc(-c3cn[nH]c3)ccc2n1
InChIInChI=1S/C13H13N5/c1-8-11-5-9(10-6-15-16-7-10)3-4-12(11)18-13(14-2)17-8/h3-7H,1-2H3,(H,15,16)(H,14,17,18)
InChIKeyPFCBLBQRDCOMGD-UHFFFAOYSA-N
XLogP2.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine (CID 58329313) is N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine is CNc1nc(C)c2cc(-c3cn[nH]c3)ccc2n1.
What is the InChIKey of N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
The InChIKey is PFCBLBQRDCOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-11-5-9(10-6-15-16-7-10)3-4-12(11)18-13(14-2)17-8/h3-7H,1-2H3,(H,15,16)(H,14,17,18).
What are the key properties of N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 58329313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).