6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H14ClFN4S2 — CID 167198237

IUPAC6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(CCN)sc2c(NCc3sccc3F)nc(Cl)nc12
InChIInChI=1S/C14H14ClFN4S2/c1-7-9(2-4-17)22-12-11(7)19-14(15)20-13(12)18-6-10-8(16)3-5-21-10/h3,5H,2,4,6,17H2,1H3,(H,18,19,20)
InChIKeyDXJGFAXMGSQMRY-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.97
Rot. Bonds5

About 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 167198237) has the molecular formula C14H14ClFN4S2 and a molecular weight of 356.88 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID167198237
Molecular FormulaC14H14ClFN4S2
Molecular Weight356.88 g/mol
Exact Mass356.03
IUPAC Name6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(CCN)sc2c(NCc3sccc3F)nc(Cl)nc12
InChIInChI=1S/C14H14ClFN4S2/c1-7-9(2-4-17)22-12-11(7)19-14(15)20-13(12)18-6-10-8(16)3-5-21-10/h3,5H,2,4,6,17H2,1H3,(H,18,19,20)
InChIKeyDXJGFAXMGSQMRY-UHFFFAOYSA-N
XLogP3.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 2808818
2-(2-Methylphenylamino)-4-(N-methylphenylamino)thieno[3.2-d]pyrimidine
CID 10066220
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10406472
8-Fluoro-4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 24826265
8-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 24826354
N-ethyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 44449745
2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 10494678
N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine
CID 10590134
N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 10827879
2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 10830480
N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 10852535
4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 44530169

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 167198237) is 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1c(CCN)sc2c(NCc3sccc3F)nc(Cl)nc12.
What is the InChIKey of 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DXJGFAXMGSQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4S2/c1-7-9(2-4-17)22-12-11(7)19-14(15)20-13(12)18-6-10-8(16)3-5-21-10/h3,5H,2,4,6,17H2,1H3,(H,18,19,20).
What are the key properties of 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 356.88 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167198237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).