2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H9Cl2N3S — CID 103320451

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CNc2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C13H9Cl2N3S/c14-9-3-1-8(2-4-9)7-16-11-10-5-6-19-12(10)18-13(15)17-11/h1-6H,7H2,(H,16,17,18)
InChIKeyDEKVDNPXWZAPOC-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320451) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320451
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CNc2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C13H9Cl2N3S/c14-9-3-1-8(2-4-9)7-16-11-10-5-6-19-12(10)18-13(15)17-11/h1-6H,7H2,(H,16,17,18)
InChIKeyDEKVDNPXWZAPOC-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 106194374
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103320451) is 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Clc1ccc(CNc2nc(Cl)nc3sccc23)cc1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DEKVDNPXWZAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-9-3-1-8(2-4-9)7-16-11-10-5-6-19-12(10)18-13(15)17-11/h1-6H,7H2,(H,16,17,18).
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.21 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).