6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol

C21H21ClN4OS — CID 142260571

IUPAC6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol
SMILESCc1ccc(CO)cc1.Nc1nc(NCc2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H11ClN4S.C8H10O/c14-8-3-4-11-10(6-8)12(15)18-13(17-11)16-7-9-2-1-5-19-9;1-7-2-4-8(6-9)5-3-7/h1-6H,7H2,(H3,15,16,17,18);2-5,9H,6H2,1H3
InChIKeyFAZUMOQWOUIJQK-UHFFFAOYSA-N
MW412.95 g/mol
LogP5.03
Rot. Bonds4

About 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol

6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol (PubChem CID 142260571) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol.

Molecular Properties

Compound Name6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol
PubChem CID142260571
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC Name6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol
SMILESCc1ccc(CO)cc1.Nc1nc(NCc2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H11ClN4S.C8H10O/c14-8-3-4-11-10(6-8)12(15)18-13(17-11)16-7-9-2-1-5-19-9;1-7-2-4-8(6-9)5-3-7/h1-6H,7H2,(H3,15,16,17,18);2-5,9H,6H2,1H3
InChIKeyFAZUMOQWOUIJQK-UHFFFAOYSA-N
XLogP5.03
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.95
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[6-chloro-2-(thiophen-2-ylmethylamino)quinazolin-4-yl]amino]methyl]benzoic acid
CID 70037881
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
CID 142254122
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
(4-amino-2-methylquinazolin-6-yl)methanol
CID 142164953
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
6-chloro-2-(methylaminomethyl)quinazolin-4-amine
CID 105480053
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol?
The IUPAC name of 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol (CID 142260571) is 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol.
What is the SMILES notation for 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol?
The canonical SMILES for 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol is Cc1ccc(CO)cc1.Nc1nc(NCc2cccs2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol?
The InChIKey is FAZUMOQWOUIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S.C8H10O/c14-8-3-4-11-10(6-8)12(15)18-13(17-11)16-7-9-2-1-5-19-9;1-7-2-4-8(6-9)5-3-7/h1-6H,7H2,(H3,15,16,17,18);2-5,9H,6H2,1H3.
What are the key properties of 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol?
6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol has a molecular weight of 412.95 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol is sourced from PubChem (CID 142260571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).