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

C15H16N6 — CID 154649525

IUPAC4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESC=C(CC)Nc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C15H16N6/c1-3-9(2)18-14-11-5-4-10(12-6-7-17-21-12)8-13(11)19-15(16)20-14/h4-8H,2-3H2,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyANQRRACCGRSETD-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.94
Rot. Bonds4

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

4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649525) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649525
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESC=C(CC)Nc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C15H16N6/c1-3-9(2)18-14-11-5-4-10(12-6-7-17-21-12)8-13(11)19-15(16)20-14/h4-8H,2-3H2,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyANQRRACCGRSETD-UHFFFAOYSA-N
XLogP2.94
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649525) is 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is C=C(CC)Nc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is ANQRRACCGRSETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-9(2)18-14-11-5-4-10(12-6-7-17-21-12)8-13(11)19-15(16)20-14/h4-8H,2-3H2,1H3,(H,17,21)(H3,16,18,19,20).
What are the key properties of 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).