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

C13H17N3OS — CID 133399288

IUPACN-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CCCC(Nc2ncnc3sccc23)C1
InChIInChI=1S/C13H17N3OS/c1-17-10-4-2-3-9(7-10)16-12-11-5-6-18-13(11)15-8-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15,16)
InChIKeySPZIRXDQHPVFHG-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.06
Rot. Bonds3

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

N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133399288) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133399288
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CCCC(Nc2ncnc3sccc23)C1
InChIInChI=1S/C13H17N3OS/c1-17-10-4-2-3-9(7-10)16-12-11-5-6-18-13(11)15-8-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15,16)
InChIKeySPZIRXDQHPVFHG-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
6-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399232
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103742766
2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114118419
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
CID 164585215
N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585263

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine (CID 133399288) is N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine is COC1CCCC(Nc2ncnc3sccc23)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SPZIRXDQHPVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-10-4-2-3-9(7-10)16-12-11-5-6-18-13(11)15-8-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133399288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).