4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide

C18H20N6O — CID 44563068

IUPAC4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCCn1c(-c2ccnc(Nc3ccc(C(=O)NC)cc3)n2)cnc1C
InChIInChI=1S/C18H20N6O/c1-4-24-12(2)21-11-16(24)15-9-10-20-18(23-15)22-14-7-5-13(6-8-14)17(25)19-3/h5-11H,4H2,1-3H3,(H,19,25)(H,20,22,23)
InChIKeyHBGBNRBGCBVAFP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.77
Rot. Bonds5

About 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide

4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide (PubChem CID 44563068) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
PubChem CID44563068
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCCn1c(-c2ccnc(Nc3ccc(C(=O)NC)cc3)n2)cnc1C
InChIInChI=1S/C18H20N6O/c1-4-24-12(2)21-11-16(24)15-9-10-20-18(23-15)22-14-7-5-13(6-8-14)17(25)19-3/h5-11H,4H2,1-3H3,(H,19,25)(H,20,22,23)
InChIKeyHBGBNRBGCBVAFP-UHFFFAOYSA-N
XLogP2.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide (CID 44563068) is 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide is CCn1c(-c2ccnc(Nc3ccc(C(=O)NC)cc3)n2)cnc1C.
What is the InChIKey of 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The InChIKey is HBGBNRBGCBVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-24-12(2)21-11-16(24)15-9-10-20-18(23-15)22-14-7-5-13(6-8-14)17(25)19-3/h5-11H,4H2,1-3H3,(H,19,25)(H,20,22,23).
What are the key properties of 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-ethyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 44563068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).