2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine

C17H18N4S — CID 94032734

IUPAC2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H18N4S/c18-17-13-4-1-2-5-14(13)19-16(20-17)10-21-8-3-6-15(21)12-7-9-22-11-12/h1-2,4-5,7,9,11,15H,3,6,8,10H2,(H2,18,19,20)/t15-/m1/s1
InChIKeyHOZXBWDZEZGYTI-OAHLLOKOSA-N
MW310.43 g/mol
LogP3.61
Rot. Bonds3

About 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine

2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 94032734) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
PubChem CID94032734
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H18N4S/c18-17-13-4-1-2-5-14(13)19-16(20-17)10-21-8-3-6-15(21)12-7-9-22-11-12/h1-2,4-5,7,9,11,15H,3,6,8,10H2,(H2,18,19,20)/t15-/m1/s1
InChIKeyHOZXBWDZEZGYTI-OAHLLOKOSA-N
XLogP3.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine (CID 94032734) is 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccccc12.
What is the InChIKey of 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is HOZXBWDZEZGYTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4S/c18-17-13-4-1-2-5-14(13)19-16(20-17)10-21-8-3-6-15(21)12-7-9-22-11-12/h1-2,4-5,7,9,11,15H,3,6,8,10H2,(H2,18,19,20)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine?
2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 310.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 94032734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).