N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

C20H24N6O — CID 11537871

IUPACN,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)cc3)n2)n1C(C)C
InChIInChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24)
InChIKeyGLDNWRDDANDORD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds5

About N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 11537871) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
PubChem CID11537871
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)cc3)n2)n1C(C)C
InChIInChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24)
InChIKeyGLDNWRDDANDORD-UHFFFAOYSA-N
XLogP3.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (CID 11537871) is N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)cc3)n2)n1C(C)C.
What is the InChIKey of N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is GLDNWRDDANDORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24).
What are the key properties of N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 11537871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).