2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

C19H23ClN4OS2 — CID 175321789

IUPAC2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCSc1c(C[C@H](C)NC2CCC2)sc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C19H23ClN4OS2/c1-11(22-12-5-3-6-12)9-14-16(26-2)15-17(27-14)18(24-19(20)23-15)21-10-13-7-4-8-25-13/h4,7-8,11-12,22H,3,5-6,9-10H2,1-2H3,(H,21,23,24)/t11-/m0/s1
InChIKeyVSIAIXSANCDZEO-NSHDSACASA-N
MW423.01 g/mol
LogP5.34
Rot. Bonds8

About 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 175321789) has the molecular formula C19H23ClN4OS2 and a molecular weight of 423.01 g/mol. Its IUPAC name is 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
PubChem CID175321789
Molecular FormulaC19H23ClN4OS2
Molecular Weight423.01 g/mol
Exact Mass422.10
IUPAC Name2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCSc1c(C[C@H](C)NC2CCC2)sc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C19H23ClN4OS2/c1-11(22-12-5-3-6-12)9-14-16(26-2)15-17(27-14)18(24-19(20)23-15)21-10-13-7-4-8-25-13/h4,7-8,11-12,22H,3,5-6,9-10H2,1-2H3,(H,21,23,24)/t11-/m0/s1
InChIKeyVSIAIXSANCDZEO-NSHDSACASA-N
XLogP5.34
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.01
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644582
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644955
6-[(2R,3R)-3-aminooxan-2-yl]-2-chloro-N-(furan-2-ylmethyl)-7-iodothieno[3,2-d]pyrimidin-4-amine
CID 170644551
CID 170644900
CID 170644900
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644676
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 170644081
2,7-dichloro-5-N-fluoro-4-N-(furan-2-ylmethyl)-5-N-(oxan-3-yl)pyrrolo[3,2-d]pyrimidine-4,5-diamine;ethane
CID 170644127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (CID 175321789) is 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is CSc1c(C[C@H](C)NC2CCC2)sc2c(NCc3ccco3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VSIAIXSANCDZEO-NSHDSACASA-N. The full InChI is InChI=1S/C19H23ClN4OS2/c1-11(22-12-5-3-6-12)9-14-16(26-2)15-17(27-14)18(24-19(20)23-15)21-10-13-7-4-8-25-13/h4,7-8,11-12,22H,3,5-6,9-10H2,1-2H3,(H,21,23,24)/t11-/m0/s1.
What are the key properties of 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 423.01 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 175321789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).