3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide

C19H19N5O2 — CID 25138023

IUPAC3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyBOAIVMCZTNFADH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.38
Rot. Bonds6

About 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide

3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 25138023) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID25138023
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyBOAIVMCZTNFADH-UHFFFAOYSA-N
XLogP3.38
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide (CID 25138023) is 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide is COc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1.
What is the InChIKey of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is BOAIVMCZTNFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).