2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C16H20ClN3S — CID 93214217

IUPAC2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCC3=CCCCC3)nc(Cl)nc2s1
InChIInChI=1S/C16H20ClN3S/c1-2-12-10-13-14(19-16(17)20-15(13)21-12)18-9-8-11-6-4-3-5-7-11/h6,10H,2-5,7-9H2,1H3,(H,18,19,20)
InChIKeyHYPUAPWGDUMKBH-UHFFFAOYSA-N
MW321.88 g/mol
LogP5.21
Rot. Bonds5

About 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 93214217) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID93214217
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCC3=CCCCC3)nc(Cl)nc2s1
InChIInChI=1S/C16H20ClN3S/c1-2-12-10-13-14(19-16(17)20-15(13)21-12)18-9-8-11-6-4-3-5-7-11/h6,10H,2-5,7-9H2,1H3,(H,18,19,20)
InChIKeyHYPUAPWGDUMKBH-UHFFFAOYSA-N
XLogP5.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106405530
2-chloro-6-ethyl-N-[2-(oxolan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321269
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322212
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 93214217) is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCCC3=CCCCC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HYPUAPWGDUMKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-12-10-13-14(19-16(17)20-15(13)21-12)18-9-8-11-6-4-3-5-7-11/h6,10H,2-5,7-9H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 93214217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).