trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine

C13H18N4S — CID 98534065

IUPACtrans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1cc2c(N[C@@H]3CCCC[C@H]3N)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-8-6-9-12(15-7-16-13(9)18-8)17-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16,17)/t10-,11-/m1/s1
InChIKeyKVFVGNBJEYGIBN-GHMZBOCLSA-N
MW262.38 g/mol
LogP2.68
Rot. Bonds2

About trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (PubChem CID 98534065) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
PubChem CID98534065
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Nametrans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1cc2c(N[C@@H]3CCCC[C@H]3N)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-8-6-9-12(15-7-16-13(9)18-8)17-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16,17)/t10-,11-/m1/s1
InChIKeyKVFVGNBJEYGIBN-GHMZBOCLSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine
CID 63617225
N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114179340
1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 79110936
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133282185
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
N-(5-azaspiro[3.5]nonan-8-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63617050
N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408749
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 63276878
trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102738836

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (CID 98534065) is trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is Cc1cc2c(N[C@@H]3CCCC[C@H]3N)ncnc2s1.
What is the InChIKey of trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is KVFVGNBJEYGIBN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-6-9-12(15-7-16-13(9)18-8)17-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16,17)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 98534065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).