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

C13H17N3S — CID 2239015

IUPACN-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCCC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyACMBPBRESUNYKF-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.74
Rot. Bonds2

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

N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2239015) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2239015
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCCC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyACMBPBRESUNYKF-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 168868692
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97192622
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667
(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 137336251
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321967
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 2239015) is N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CCCCC2)c2ccsc2n1.
What is the InChIKey of N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ACMBPBRESUNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2239015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).