ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

C30H37N11O2 — CID 68975422

IUPACethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESCCOC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)nc1.Cc1ncc(-c2ccnc(N)n2)n1C(C)C
InChIInChI=1S/C19H22N6O2.C11H15N5/c1-5-27-18(26)14-6-7-17(22-10-14)24-19-20-9-8-15(23-19)16-11-21-13(4)25(16)12(2)3;1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h6-12H,5H2,1-4H3,(H,20,22,23,24);4-7H,1-3H3,(H2,12,13,15)
InChIKeyHZFLCMPOVGTSRE-UHFFFAOYSA-N
MW583.70 g/mol
LogP5.36
Rot. Bonds8

About ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 68975422) has the molecular formula C30H37N11O2 and a molecular weight of 583.70 g/mol. Its IUPAC name is ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
PubChem CID68975422
Molecular FormulaC30H37N11O2
Molecular Weight583.70 g/mol
Exact Mass583.31
IUPAC Nameethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESCCOC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)nc1.Cc1ncc(-c2ccnc(N)n2)n1C(C)C
InChIInChI=1S/C19H22N6O2.C11H15N5/c1-5-27-18(26)14-6-7-17(22-10-14)24-19-20-9-8-15(23-19)16-11-21-13(4)25(16)12(2)3;1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h6-12H,5H2,1-4H3,(H,20,22,23,24);4-7H,1-3H3,(H2,12,13,15)
InChIKeyHZFLCMPOVGTSRE-UHFFFAOYSA-N
XLogP5.36
TPSA164.44 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500583.70
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (CID 68975422) is ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is CCOC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)nc1.Cc1ncc(-c2ccnc(N)n2)n1C(C)C.
What is the InChIKey of ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is HZFLCMPOVGTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.C11H15N5/c1-5-27-18(26)14-6-7-17(22-10-14)24-19-20-9-8-15(23-19)16-11-21-13(4)25(16)12(2)3;1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h6-12H,5H2,1-4H3,(H,20,22,23,24);4-7H,1-3H3,(H2,12,13,15).
What are the key properties of ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 583.70 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 68975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).