2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

C20H14ClN7S — CID 19742796

IUPAC2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1
InChIInChI=1S/C20H14ClN7S/c21-20-23-16-9-10-29-17(16)19(24-20)22-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-25-27-28-26-18/h1-10H,11H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyNNODHHYHRJHBKB-UHFFFAOYSA-N
MW419.90 g/mol
LogP4.80
Rot. Bonds5

About 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 19742796) has the molecular formula C20H14ClN7S and a molecular weight of 419.90 g/mol. Its IUPAC name is 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID19742796
Molecular FormulaC20H14ClN7S
Molecular Weight419.90 g/mol
Exact Mass419.07
IUPAC Name2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1
InChIInChI=1S/C20H14ClN7S/c21-20-23-16-9-10-29-17(16)19(24-20)22-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-25-27-28-26-18/h1-10H,11H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyNNODHHYHRJHBKB-UHFFFAOYSA-N
XLogP4.80
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.90
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
CID 19787149
2-[4-[[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid
CID 19787151
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
CID 67885779
CID 67885779
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
CID 67751380
CID 67751380
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750238
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
CID 10835002
8,8-difluoro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-quinazolin-4-amine
CID 19744182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 19742796) is 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is Clc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1.
What is the InChIKey of 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NNODHHYHRJHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7S/c21-20-23-16-9-10-29-17(16)19(24-20)22-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-25-27-28-26-18/h1-10H,11H2,(H,22,23,24)(H,25,26,27,28).
What are the key properties of 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 419.90 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 19742796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).