2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3S2 — CID 66146454

IUPAC2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cccc(Cl)c2)nc2sc(C)cc12
InChIInChI=1S/C15H14ClN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyJDPOIKYUPCTJPN-UHFFFAOYSA-N
MW335.89 g/mol
LogP4.99
Rot. Bonds4

About 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66146454) has the molecular formula C15H14ClN3S2 and a molecular weight of 335.89 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66146454
Molecular FormulaC15H14ClN3S2
Molecular Weight335.89 g/mol
Exact Mass335.03
IUPAC Name2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cccc(Cl)c2)nc2sc(C)cc12
InChIInChI=1S/C15H14ClN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyJDPOIKYUPCTJPN-UHFFFAOYSA-N
XLogP4.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66159639
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66064348
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299315
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66301009
2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66148327
2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 66146244
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 66146454) is 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2cccc(Cl)c2)nc2sc(C)cc12.
What is the InChIKey of 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JDPOIKYUPCTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66146454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).