4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide

C18H17N5O — CID 66576719

IUPAC4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1
InChIInChI=1S/C18H17N5O/c1-12-6-5-9-14(10-12)22-18-20-11-15(16(19)24)17(23-18)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyAVYYJBBSZYIWBA-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.37
Rot. Bonds5

About 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide

4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 66576719) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID66576719
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1
InChIInChI=1S/C18H17N5O/c1-12-6-5-9-14(10-12)22-18-20-11-15(16(19)24)17(23-18)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyAVYYJBBSZYIWBA-UHFFFAOYSA-N
XLogP3.37
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide (CID 66576719) is 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1.
What is the InChIKey of 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is AVYYJBBSZYIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-6-5-9-14(10-12)22-18-20-11-15(16(19)24)17(23-18)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide?
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 66576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).