N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine

C13H12ClN3OS — CID 62189221

IUPACN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1nc(Cl)c2ccsc2n1)Cc1ccco1
InChIInChI=1S/C13H12ClN3OS/c1-17(7-9-3-2-5-18-9)8-11-15-12(14)10-4-6-19-13(10)16-11/h2-6H,7-8H2,1H3
InChIKeyHNNINEZXDPXIBX-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.57
Rot. Bonds4

About N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine

N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 62189221) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
PubChem CID62189221
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1nc(Cl)c2ccsc2n1)Cc1ccco1
InChIInChI=1S/C13H12ClN3OS/c1-17(7-9-3-2-5-18-9)8-11-15-12(14)10-4-6-19-13(10)16-11/h2-6H,7-8H2,1H3
InChIKeyHNNINEZXDPXIBX-UHFFFAOYSA-N
XLogP3.57
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 79764459
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112658823
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220353
2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
CID 62187940
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
2-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18124355
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62183349
1-(furan-2-yl)-N-methyl-N-(quinolin-3-ylmethyl)methanamine
CID 23936129

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine (CID 62189221) is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine is CN(Cc1nc(Cl)c2ccsc2n1)Cc1ccco1.
What is the InChIKey of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is HNNINEZXDPXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-17(7-9-3-2-5-18-9)8-11-15-12(14)10-4-6-19-13(10)16-11/h2-6H,7-8H2,1H3.
What are the key properties of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 293.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62189221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).