2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C12H10ClN3OS — CID 112750238

IUPAC2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(Cl)nc3ccsc23)o1
InChIInChI=1S/C12H10ClN3OS/c1-7-2-3-8(17-7)6-14-11-10-9(4-5-18-10)15-12(13)16-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyRYGJRASWIZKJPS-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750238) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750238
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(Cl)nc3ccsc23)o1
InChIInChI=1S/C12H10ClN3OS/c1-7-2-3-8(17-7)6-14-11-10-9(4-5-18-10)15-12(13)16-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyRYGJRASWIZKJPS-UHFFFAOYSA-N
XLogP3.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(5-methylfuran-2-yl)methyl]thiophen-3-amine
CID 130671044
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750291
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone
CID 121003906
4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399146
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
2-[4-[[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid
CID 19787151
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 112750287
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369011
2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 19742796
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 112750238) is 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is Cc1ccc(CNc2nc(Cl)nc3ccsc23)o1.
What is the InChIKey of 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RYGJRASWIZKJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c1-7-2-3-8(17-7)6-14-11-10-9(4-5-18-10)15-12(13)16-11/h2-5H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).