4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

C21H23N5O5 — CID 59145704

IUPAC4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C(N)=O)c1
InChIInChI=1S/C21H23N5O5/c1-28-14-7-5-6-12(8-14)24-20-15(19(22)27)11-23-21(26-20)25-13-9-16(29-2)18(31-4)17(10-13)30-3/h5-11H,1-4H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyCIJXRZIUOVXTHH-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.10
Rot. Bonds9

About 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 59145704) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID59145704
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C(N)=O)c1
InChIInChI=1S/C21H23N5O5/c1-28-14-7-5-6-12(8-14)24-20-15(19(22)27)11-23-21(26-20)25-13-9-16(29-2)18(31-4)17(10-13)30-3/h5-11H,1-4H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyCIJXRZIUOVXTHH-UHFFFAOYSA-N
XLogP3.10
TPSA129.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
[5-amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199817
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (CID 59145704) is 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C(N)=O)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is CIJXRZIUOVXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-28-14-7-5-6-12(8-14)24-20-15(19(22)27)11-23-21(26-20)25-13-9-16(29-2)18(31-4)17(10-13)30-3/h5-11H,1-4H3,(H2,22,27)(H2,23,24,25,26).
What are the key properties of 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 59145704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).