4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide

C19H19N5O3 — CID 66576633

IUPAC4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N5O3/c1-26-15-9-8-13(10-16(15)27-2)23-19-21-11-14(17(20)25)18(24-19)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyFWIAHWCHOKAIGH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.08
Rot. Bonds7

About 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide

4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 66576633) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID66576633
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N5O3/c1-26-15-9-8-13(10-16(15)27-2)23-19-21-11-14(17(20)25)18(24-19)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyFWIAHWCHOKAIGH-UHFFFAOYSA-N
XLogP3.08
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide (CID 66576633) is 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC.
What is the InChIKey of 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is FWIAHWCHOKAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-15-9-8-13(10-16(15)27-2)23-19-21-11-14(17(20)25)18(24-19)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 66576633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).