N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine

C14H12ClN3S — CID 82309363

IUPACN-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCc3ccccc3)nc2s1
InChIInChI=1S/C14H12ClN3S/c1-9-7-11-12(15)17-14(18-13(11)19-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyXAPSLYDQROUPDH-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds3

About N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine

N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309363) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309363
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC NameN-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCc3ccccc3)nc2s1
InChIInChI=1S/C14H12ClN3S/c1-9-7-11-12(15)17-14(18-13(11)19-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyXAPSLYDQROUPDH-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82316501
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460321
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 82309363) is N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Cl)nc(NCc3ccccc3)nc2s1.
What is the InChIKey of N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is XAPSLYDQROUPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-7-11-12(15)17-14(18-13(11)19-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine?
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).