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

C14H12ClN3OS — CID 103320788

IUPAC2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C14H12ClN3OS/c1-19-10-4-2-3-9(7-10)8-16-12-11-5-6-20-13(11)18-14(15)17-12/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyQOJQCPOLEVUDAM-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.97
Rot. Bonds4

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

2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320788) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320788
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C14H12ClN3OS/c1-19-10-4-2-3-9(7-10)8-16-12-11-5-6-20-13(11)18-14(15)17-12/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyQOJQCPOLEVUDAM-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103320788) is 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccc(CNc2nc(Cl)nc3sccc23)c1.
What is the InChIKey of 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QOJQCPOLEVUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-19-10-4-2-3-9(7-10)8-16-12-11-5-6-20-13(11)18-14(15)17-12/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).