2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16ClN3S — CID 103321396

IUPAC2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3cccc(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3S/c1-4-12-9-13-14(18-16(17)19-15(13)21-12)20(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3
InChIKeyQDOXQRVINMIMSR-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.98
Rot. Bonds3

About 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321396) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321396
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3cccc(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3S/c1-4-12-9-13-14(18-16(17)19-15(13)21-12)20(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3
InChIKeyQDOXQRVINMIMSR-UHFFFAOYSA-N
XLogP4.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
CID 103323026
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320932
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 103321162
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321396) is 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)c3cccc(C)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QDOXQRVINMIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-4-12-9-13-14(18-16(17)19-15(13)21-12)20(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3.
What are the key properties of 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).