4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C10H12ClN3S — CID 82309354

IUPAC4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Cl)c2cc(C)sc2n1
InChIInChI=1S/C10H12ClN3S/c1-3-4-12-10-13-8(11)7-5-6(2)15-9(7)14-10/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVOAOFRVPODZEDV-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.48
Rot. Bonds3

About 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309354) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309354
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Cl)c2cc(C)sc2n1
InChIInChI=1S/C10H12ClN3S/c1-3-4-12-10-13-8(11)7-5-6(2)15-9(7)14-10/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVOAOFRVPODZEDV-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837
3-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 82309354) is 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(Cl)c2cc(C)sc2n1.
What is the InChIKey of 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is VOAOFRVPODZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-3-4-12-10-13-8(11)7-5-6(2)15-9(7)14-10/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 241.75 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).