2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C13H10ClN3OS — CID 170644676

IUPAC2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESC=Cc1csc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3OS/c1-2-8-7-19-11-10(8)16-13(14)17-12(11)15-6-9-4-3-5-18-9/h2-5,7H,1,6H2,(H,15,16,17)
InChIKeyJZAPHVOUEVREIT-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.19
Rot. Bonds4

About 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 170644676) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID170644676
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESC=Cc1csc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3OS/c1-2-8-7-19-11-10(8)16-13(14)17-12(11)15-6-9-4-3-5-18-9/h2-5,7H,1,6H2,(H,15,16,17)
InChIKeyJZAPHVOUEVREIT-UHFFFAOYSA-N
XLogP4.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
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
6-[(2R)-2-amino-3,3-difluoropropyl]-2,7-dichloro-N-(furan-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 177282069
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
CID 154681219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 170644676) is 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is C=Cc1csc2c(NCc3ccco3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JZAPHVOUEVREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-2-8-7-19-11-10(8)16-13(14)17-12(11)15-6-9-4-3-5-18-9/h2-5,7H,1,6H2,(H,15,16,17).
What are the key properties of 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170644676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).