2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid

C23H25N3O6 — CID 15338475

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(c2cccc(OC)c2)C(Nc2nc(OC)cc(OC)n2)C(=O)O)c1
InChIInChI=1S/C23H25N3O6/c1-29-16-9-5-7-14(11-16)20(15-8-6-10-17(12-15)30-2)21(22(27)28)26-23-24-18(31-3)13-19(25-23)32-4/h5-13,20-21H,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyFOLYKXHBMIEYQV-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.21
Rot. Bonds10

About 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid (PubChem CID 15338475) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid
PubChem CID15338475
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(c2cccc(OC)c2)C(Nc2nc(OC)cc(OC)n2)C(=O)O)c1
InChIInChI=1S/C23H25N3O6/c1-29-16-9-5-7-14(11-16)20(15-8-6-10-17(12-15)30-2)21(22(27)28)26-23-24-18(31-3)13-19(25-23)32-4/h5-13,20-21H,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyFOLYKXHBMIEYQV-UHFFFAOYSA-N
XLogP3.21
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
3-[(3-methoxyphenyl)-phenylmethyl]pentane-2,4-dione
CID 132516605
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
N-[2,2-bis(3-methoxyphenyl)-1-phenylethyl]acetamide
CID 11349353
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid (CID 15338475) is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid is COc1cccc(C(c2cccc(OC)c2)C(Nc2nc(OC)cc(OC)n2)C(=O)O)c1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid?
The InChIKey is FOLYKXHBMIEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-29-16-9-5-7-14(11-16)20(15-8-6-10-17(12-15)30-2)21(22(27)28)26-23-24-18(31-3)13-19(25-23)32-4/h5-13,20-21H,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid has a molecular weight of 439.47 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 15338475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).