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

C14H18ClN3S — CID 112750291

IUPAC2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1CCCC(CNc2nc(Cl)nc3ccsc23)C1
InChIInChI=1S/C14H18ClN3S/c1-9-3-2-4-10(7-9)8-16-13-12-11(5-6-19-12)17-14(15)18-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyJGAGKDYMBNWFPJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.58
Rot. Bonds3

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

2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750291) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750291
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1CCCC(CNc2nc(Cl)nc3ccsc23)C1
InChIInChI=1S/C14H18ClN3S/c1-9-3-2-4-10(7-9)8-16-13-12-11(5-6-19-12)17-14(15)18-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyJGAGKDYMBNWFPJ-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 112750291) is 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine is CC1CCCC(CNc2nc(Cl)nc3ccsc23)C1.
What is the InChIKey of 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JGAGKDYMBNWFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-3-2-4-10(7-9)8-16-13-12-11(5-6-19-12)17-14(15)18-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).