N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine

C12H13N3S — CID 102686679

IUPACN-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CC=CC3)ncnc12
InChIInChI=1S/C12H13N3S/c1-8-6-16-11-10(8)13-7-14-12(11)15-9-4-2-3-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyLOIUKFMYJNHCIU-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.13
Rot. Bonds2

About N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine

N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686679) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686679
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CC=CC3)ncnc12
InChIInChI=1S/C12H13N3S/c1-8-6-16-11-10(8)13-7-14-12(11)15-9-4-2-3-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyLOIUKFMYJNHCIU-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N-(2,2-dimethylcyclopropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686423
7-methyl-N-(2,2,3,3-tetramethylcyclopropyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686575
7-methyl-N-(1-propylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686395
methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 102687139
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155504791
N-[2-(aminomethyl)cyclohexyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686896
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide
CID 71160600
N-(2,6-dimethylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686620

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686679) is N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC3CC=CC3)ncnc12.
What is the InChIKey of N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LOIUKFMYJNHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-6-16-11-10(8)13-7-14-12(11)15-9-4-2-3-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 231.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).