4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C13H16ClN3S — CID 82309368

IUPAC4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NC3CCCCC3)nc2s1
InChIInChI=1S/C13H16ClN3S/c1-8-7-10-11(14)16-13(17-12(10)18-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16,17)
InChIKeyPNWICTAJBLODLU-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.40
Rot. Bonds2

About 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309368) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309368
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NC3CCCCC3)nc2s1
InChIInChI=1S/C13H16ClN3S/c1-8-7-10-11(14)16-13(17-12(10)18-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16,17)
InChIKeyPNWICTAJBLODLU-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 137431964
4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82316501
2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine
CID 65335000
N-cyclohexyl-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334925
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 82309368) is 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Cl)nc(NC3CCCCC3)nc2s1.
What is the InChIKey of 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PNWICTAJBLODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8-7-10-11(14)16-13(17-12(10)18-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 281.81 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).