2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid

C15H17N3O5 — CID 146134510

IUPAC2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid
SMILESCOc1cc(OC)cc(C(O)CNc2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C15H17N3O5/c1-22-11-3-9(4-12(5-11)23-2)13(19)8-18-15-16-6-10(7-17-15)14(20)21/h3-7,13,19H,8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyKRIDONKZBPAMSN-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.34
Rot. Bonds7

About 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid

2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 146134510) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid
PubChem CID146134510
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid
SMILESCOc1cc(OC)cc(C(O)CNc2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C15H17N3O5/c1-22-11-3-9(4-12(5-11)23-2)13(19)8-18-15-16-6-10(7-17-15)14(20)21/h3-7,13,19H,8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyKRIDONKZBPAMSN-UHFFFAOYSA-N
XLogP1.34
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 133307863
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
6-(3,5-dimethoxyphenyl)-6-hydroxyhexane-2,4-dione
CID 10778147
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133372946
1-(3,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133307479
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid (CID 146134510) is 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid is COc1cc(OC)cc(C(O)CNc2ncc(C(=O)O)cn2)c1.
What is the InChIKey of 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is KRIDONKZBPAMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-22-11-3-9(4-12(5-11)23-2)13(19)8-18-15-16-6-10(7-17-15)14(20)21/h3-7,13,19H,8H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid?
2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146134510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).