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

C13H16ClN3S — CID 65029513

IUPACN-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClC1CCCCC1CNc1ncnc2sccc12
InChIInChI=1S/C13H16ClN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h5-6,8-9,11H,1-4,7H2,(H,15,16,17)
InChIKeyCZRMNLDPZGQPSO-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.90
Rot. Bonds3

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

N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 65029513) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID65029513
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClC1CCCCC1CNc1ncnc2sccc12
InChIInChI=1S/C13H16ClN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h5-6,8-9,11H,1-4,7H2,(H,15,16,17)
InChIKeyCZRMNLDPZGQPSO-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 78986261
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 114008836
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126916741
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]thieno[2,3-d]pyrimidin-4-amine
CID 94181560

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 65029513) is N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is ClC1CCCCC1CNc1ncnc2sccc12.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CZRMNLDPZGQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h5-6,8-9,11H,1-4,7H2,(H,15,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65029513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).