2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H11ClN4OS — CID 103321592

IUPAC2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3sccc23)cn1
InChIInChI=1S/C13H11ClN4OS/c1-19-10-3-2-8(6-15-10)7-16-11-9-4-5-20-12(9)18-13(14)17-11/h2-6H,7H2,1H3,(H,16,17,18)
InChIKeyGQZVDPNANMMDFN-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321592) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321592
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3sccc23)cn1
InChIInChI=1S/C13H11ClN4OS/c1-19-10-3-2-8(6-15-10)7-16-11-9-4-5-20-12(9)18-13(14)17-11/h2-6H,7H2,1H3,(H,16,17,18)
InChIKeyGQZVDPNANMMDFN-UHFFFAOYSA-N
XLogP3.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257711
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80809905
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 106194374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321592) is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(Cl)nc3sccc23)cn1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GQZVDPNANMMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-19-10-3-2-8(6-15-10)7-16-11-9-4-5-20-12(9)18-13(14)17-11/h2-6H,7H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).