2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid

C18H17N3O3S — CID 171775851

IUPAC2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(CN3CCOCC3)cc2)nc2ccsc12
InChIInChI=1S/C18H17N3O3S/c22-18(23)15-16-14(5-10-25-16)19-17(20-15)13-3-1-12(2-4-13)11-21-6-8-24-9-7-21/h1-5,10H,6-9,11H2,(H,22,23)
InChIKeyRBDRCSUZPREAIA-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid

2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 171775851) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID171775851
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(CN3CCOCC3)cc2)nc2ccsc12
InChIInChI=1S/C18H17N3O3S/c22-18(23)15-16-14(5-10-25-16)19-17(20-15)13-3-1-12(2-4-13)11-21-6-8-24-9-7-21/h1-5,10H,6-9,11H2,(H,22,23)
InChIKeyRBDRCSUZPREAIA-UHFFFAOYSA-N
XLogP2.89
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
CID 59303659
CID 59303659
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 86978782

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid (CID 171775851) is 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(CN3CCOCC3)cc2)nc2ccsc12.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is RBDRCSUZPREAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-18(23)15-16-14(5-10-25-16)19-17(20-15)13-3-1-12(2-4-13)11-21-6-8-24-9-7-21/h1-5,10H,6-9,11H2,(H,22,23).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid?
2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 171775851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).