2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C16H15N5S — CID 70903295

IUPAC2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(C3=CSCC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H15N5S/c1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19,20,21)
InChIKeyBXOWYCKWLDXWBK-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 70903295) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID70903295
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(C3=CSCC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H15N5S/c1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19,20,21)
InChIKeyBXOWYCKWLDXWBK-UHFFFAOYSA-N
XLogP3.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 20604329
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10201719
methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
CID 10222050
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzaldehyde
CID 88927768
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 70903295) is 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(C3=CSCC3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is BXOWYCKWLDXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 309.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 70903295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).