4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C19H18N6S — CID 10109287

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1csc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N6S/c1-2-6-15-14(5-1)18(22-17-10-16(24-25-17)12-7-8-12)23-19(21-15)20-11-13-4-3-9-26-13/h1-6,9-10,12H,7-8,11H2,(H3,20,21,22,23,24,25)
InChIKeyAQZBQRYOMBFBKF-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.65
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 10109287) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID10109287
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1csc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N6S/c1-2-6-15-14(5-1)18(22-17-10-16(24-25-17)12-7-8-12)23-19(21-15)20-11-13-4-3-9-26-13/h1-6,9-10,12H,7-8,11H2,(H3,20,21,22,23,24,25)
InChIKeyAQZBQRYOMBFBKF-UHFFFAOYSA-N
XLogP4.65
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 10109287) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is c1csc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is AQZBQRYOMBFBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-2-6-15-14(5-1)18(22-17-10-16(24-25-17)12-7-8-12)23-19(21-15)20-11-13-4-3-9-26-13/h1-6,9-10,12H,7-8,11H2,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 362.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10109287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).