6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C18H19ClN4OS — CID 170644582

IUPAC6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c([C@H]2CC=CC[C@@H]2N)sc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C18H19ClN4OS/c1-10-14-16(25-15(10)12-6-2-3-7-13(12)20)17(23-18(19)22-14)21-9-11-5-4-8-24-11/h2-5,8,12-13H,6-7,9,20H2,1H3,(H,21,22,23)/t12-,13-/m0/s1
InChIKeyUBWRAEVVANSADF-STQMWFEESA-N
MW374.90 g/mol
LogP4.62
Rot. Bonds4

About 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine

6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 170644582) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID170644582
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c([C@H]2CC=CC[C@@H]2N)sc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C18H19ClN4OS/c1-10-14-16(25-15(10)12-6-2-3-7-13(12)20)17(23-18(19)22-14)21-9-11-5-4-8-24-11/h2-5,8,12-13H,6-7,9,20H2,1H3,(H,21,22,23)/t12-,13-/m0/s1
InChIKeyUBWRAEVVANSADF-STQMWFEESA-N
XLogP4.62
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
CID 170644900
CID 170644900
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2,7-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170643685
6-[(2R,3R)-3-aminooxan-2-yl]-2-chloro-N-(furan-2-ylmethyl)-7-iodothieno[3,2-d]pyrimidin-4-amine
CID 170644551
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-7-iodo-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644224
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(3R,4S)-3-aminooxan-4-yl]-2-chloro-N-(furan-2-ylmethyl)-7-(2-trimethylsilylethynyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 175971966
2-chloro-6-[(2S)-2-(cyclobutylamino)propyl]-N-(furan-2-ylmethyl)-7-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
CID 175321789
2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644676
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 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) is 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1c([C@H]2CC=CC[C@@H]2N)sc2c(NCc3ccco3)nc(Cl)nc12.
What is the InChIKey of 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UBWRAEVVANSADF-STQMWFEESA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-10-14-16(25-15(10)12-6-2-3-7-13(12)20)17(23-18(19)22-14)21-9-11-5-4-8-24-11/h2-5,8,12-13H,6-7,9,20H2,1H3,(H,21,22,23)/t12-,13-/m0/s1.
What are the key properties of 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 374.90 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170644582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).