4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine

C11H12ClN3S — CID 82309500

IUPAC4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
SMILESC=CCNc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C11H12ClN3S/c1-4-5-13-11-14-9(12)8-6(2)7(3)16-10(8)15-11/h4H,1,5H2,2-3H3,(H,13,14,15)
InChIKeyAEBUOZNJUQAUSP-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine

4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309500) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309500
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
SMILESC=CCNc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C11H12ClN3S/c1-4-5-13-11-14-9(12)8-6(2)7(3)16-10(8)15-11/h4H,1,5H2,2-3H3,(H,13,14,15)
InChIKeyAEBUOZNJUQAUSP-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.56
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-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82309508
4-chloro-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 95507130
N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 82309488
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 61269033
4-chloro-5,6-dimethyl-2-(pent-4-enoxymethyl)thieno[2,3-d]pyrimidine
CID 79114375
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine (CID 82309500) is 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine is C=CCNc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AEBUOZNJUQAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-4-5-13-11-14-9(12)8-6(2)7(3)16-10(8)15-11/h4H,1,5H2,2-3H3,(H,13,14,15).
What are the key properties of 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).