2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C17H18ClN3OS — CID 82066129

IUPAC2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1Nc1nc(Cl)nc2sc(C)c(C)c12
InChIInChI=1S/C17H18ClN3OS/c1-4-9-22-13-8-6-5-7-12(13)19-15-14-10(2)11(3)23-16(14)21-17(18)20-15/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyRRBNCIAYVXDJCX-UHFFFAOYSA-N
MW347.87 g/mol
LogP5.49
Rot. Bonds5

About 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066129) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066129
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1Nc1nc(Cl)nc2sc(C)c(C)c12
InChIInChI=1S/C17H18ClN3OS/c1-4-9-22-13-8-6-5-7-12(13)19-15-14-10(2)11(3)23-16(14)21-17(18)20-15/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyRRBNCIAYVXDJCX-UHFFFAOYSA-N
XLogP5.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965399
3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 93214059
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 46572939
2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965458
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
5-methyl-2-N-(2-propoxyphenyl)pyridine-2,3-diamine
CID 82059608
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
2-[4-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066106
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 82066129) is 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is CCCOc1ccccc1Nc1nc(Cl)nc2sc(C)c(C)c12.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RRBNCIAYVXDJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-4-9-22-13-8-6-5-7-12(13)19-15-14-10(2)11(3)23-16(14)21-17(18)20-15/h5-8H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 347.87 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).