4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C13H14N6 — CID 154649332

IUPAC4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C13H14N6/c1-2-15-12-9-4-3-8(10-5-6-16-19-10)7-11(9)17-13(14)18-12/h3-7H,2H2,1H3,(H,16,19)(H3,14,15,17,18)
InChIKeyJKBKYEKTRHLUQD-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.03
Rot. Bonds3

About 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649332) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649332
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C13H14N6/c1-2-15-12-9-4-3-8(10-5-6-16-19-10)7-11(9)17-13(14)18-12/h3-7H,2H2,1H3,(H,16,19)(H3,14,15,17,18)
InChIKeyJKBKYEKTRHLUQD-UHFFFAOYSA-N
XLogP2.03
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649332) is 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is CCNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is JKBKYEKTRHLUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-15-12-9-4-3-8(10-5-6-16-19-10)7-11(9)17-13(14)18-12/h3-7H,2H2,1H3,(H,16,19)(H3,14,15,17,18).
What are the key properties of 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).