2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H16ClN3S — CID 87454791

IUPAC2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NC3CCCCC3)n1)SCC2
InChIInChI=1S/C12H16ClN3S/c13-12-15-9-6-7-17-10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16)
InChIKeyWJOBXADCRLEORB-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.52
Rot. Bonds2

About 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 87454791) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID87454791
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NC3CCCCC3)n1)SCC2
InChIInChI=1S/C12H16ClN3S/c13-12-15-9-6-7-17-10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16)
InChIKeyWJOBXADCRLEORB-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 87454791) is 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Clc1nc2c(c(NC3CCCCC3)n1)SCC2.
What is the InChIKey of 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WJOBXADCRLEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c13-12-15-9-6-7-17-10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16).
What are the key properties of 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 87454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).