2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

C17H25N3S — CID 63614822

IUPAC2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCC2)nc2sc(CC)cc12
InChIInChI=1S/C17H25N3S/c1-3-10-18-16-14-11-13(4-2)21-17(14)20-15(19-16)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyDNWQLMQRDYJFHU-UHFFFAOYSA-N
MW303.48 g/mol
LogP5.12
Rot. Bonds5

About 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63614822) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63614822
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCC2)nc2sc(CC)cc12
InChIInChI=1S/C17H25N3S/c1-3-10-18-16-14-11-13(4-2)21-17(14)20-15(19-16)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyDNWQLMQRDYJFHU-UHFFFAOYSA-N
XLogP5.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-(oxolan-3-yl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65329062
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 55250109
6-methyl-2-(4-methylcyclohexyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63616852
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65412798
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63719456
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
6-ethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633155

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63614822) is 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C2CCCCC2)nc2sc(CC)cc12.
What is the InChIKey of 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DNWQLMQRDYJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-10-18-16-14-11-13(4-2)21-17(14)20-15(19-16)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63614822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).