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

C12H16N4S — CID 63617225

IUPAC1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine
SMILESCc1cc2c(NC3CCCC3N)ncnc2s1
InChIInChI=1S/C12H16N4S/c1-7-5-8-11(14-6-15-12(8)17-7)16-10-4-2-3-9(10)13/h5-6,9-10H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyDYMMZRICAQSGLV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.29
Rot. Bonds2

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

1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine (PubChem CID 63617225) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine
PubChem CID63617225
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine
SMILESCc1cc2c(NC3CCCC3N)ncnc2s1
InChIInChI=1S/C12H16N4S/c1-7-5-8-11(14-6-15-12(8)17-7)16-10-4-2-3-9(10)13/h5-6,9-10H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyDYMMZRICAQSGLV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 98534065
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
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
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
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
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465530
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
CID 63617901
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine (CID 63617225) is 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine is Cc1cc2c(NC3CCCC3N)ncnc2s1.
What is the InChIKey of 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine?
The InChIKey is DYMMZRICAQSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-5-8-11(14-6-15-12(8)17-7)16-10-4-2-3-9(10)13/h5-6,9-10H,2-4,13H2,1H3,(H,14,15,16).
What are the key properties of 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine?
1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 63617225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).