4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid

C24H21N5O4 — CID 171626678

IUPAC4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2cccc(Nc3nc(Nc4ccccn4)ncc3C(=O)O)c2OC)c1
InChIInChI=1S/C24H21N5O4/c1-32-16-8-5-7-15(13-16)17-9-6-10-19(21(17)33-2)27-22-18(23(30)31)14-26-24(29-22)28-20-11-3-4-12-25-20/h3-14H,1-2H3,(H,30,31)(H2,25,26,27,28,29)
InChIKeyREXCMJODRIRZBQ-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.74
Rot. Bonds8

About 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid

4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 171626678) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID171626678
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2cccc(Nc3nc(Nc4ccccn4)ncc3C(=O)O)c2OC)c1
InChIInChI=1S/C24H21N5O4/c1-32-16-8-5-7-15(13-16)17-9-6-10-19(21(17)33-2)27-22-18(23(30)31)14-26-24(29-22)28-20-11-3-4-12-25-20/h3-14H,1-2H3,(H,30,31)(H2,25,26,27,28,29)
InChIKeyREXCMJODRIRZBQ-UHFFFAOYSA-N
XLogP4.74
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626518
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626655
ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate
CID 171626579
4-[(2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazol-7-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626605
4-[(3-methyl-4,5-dihydro-[1]benzoxepino[5,4-d]pyrazol-7-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626375
4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[(1-methylpyrazol-3-yl)amino]pyrimidine-5-carboxylic acid
CID 171626441
4-(2-methoxy-3-pyridin-3-ylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 171818573
4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxylic acid
CID 171818579
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxamide
CID 171626474
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437417

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid (CID 171626678) is 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid is COc1cccc(-c2cccc(Nc3nc(Nc4ccccn4)ncc3C(=O)O)c2OC)c1.
What is the InChIKey of 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is REXCMJODRIRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-32-16-8-5-7-15(13-16)17-9-6-10-19(21(17)33-2)27-22-18(23(30)31)14-26-24(29-22)28-20-11-3-4-12-25-20/h3-14H,1-2H3,(H,30,31)(H2,25,26,27,28,29).
What are the key properties of 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 443.46 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 171626678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).