4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine

C18H19ClN4OS — CID 46228429

IUPAC4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(OCc3cccc(Cl)c3)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H19ClN4OS/c1-12-11-25-16-15(12)21-18(23-7-5-20-6-8-23)22-17(16)24-10-13-3-2-4-14(19)9-13/h2-4,9,11,20H,5-8,10H2,1H3
InChIKeyNCLOHNXLXINZQJ-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.64
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine

4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 46228429) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine
PubChem CID46228429
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(OCc3cccc(Cl)c3)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H19ClN4OS/c1-12-11-25-16-15(12)21-18(23-7-5-20-6-8-23)22-17(16)24-10-13-3-2-4-14(19)9-13/h2-4,9,11,20H,5-8,10H2,1H3
InChIKeyNCLOHNXLXINZQJ-UHFFFAOYSA-N
XLogP3.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228423
4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228442
4-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 49792108
(E)-3-[4-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-phenyl]prop-2-enenitrile
CID 129909019
(E)-3-[4-[2-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-phenyl]prop-2-enenitrile
CID 129909424
(E)-3-[4-[2-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-phenyl]prop-2-enenitrile
CID 129909764
(E)-3-[3,5-dimethyl-4-[2-[4-(piperazin-1-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enenitrile
CID 162659018
(E)-3-[3,5-dimethyl-4-[2-(4-piperazin-1-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enenitrile
CID 162667450
4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 46943534
4-N-[2-(2-chlorophenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 46948320
N-benzyl-4-(2-ethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 49789235
(2R)-1-(7-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxy-3-phenylpropan-2-amine
CID 117666603

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine (CID 46228429) is 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine is Cc1csc2c(OCc3cccc(Cl)c3)nc(N3CCNCC3)nc12.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is NCLOHNXLXINZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-12-11-25-16-15(12)21-18(23-7-5-20-6-8-23)22-17(16)24-10-13-3-2-4-14(19)9-13/h2-4,9,11,20H,5-8,10H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 374.90 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-7-methyl-2-piperazin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 46228429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).