2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine

C12H16N4S — CID 61037130

IUPAC2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncnc2ccsc12
InChIInChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16)
InChIKeyPJPZIRFZRXNJLB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds2

About 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine

2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine (PubChem CID 61037130) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
PubChem CID61037130
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncnc2ccsc12
InChIInChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16)
InChIKeyPJPZIRFZRXNJLB-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide
CID 99695946
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
CID 91793439
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
CID 103967085
N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 115308929
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 98534065
2-cyclopropyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic acid
CID 64667669
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
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 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine (CID 61037130) is 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine is NC1CCCCC1Nc1ncnc2ccsc12.
What is the InChIKey of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The InChIKey is PJPZIRFZRXNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16).
What are the key properties of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 61037130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).