4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol

C29H42N8O — CID 158520945

IUPAC4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol
SMILESCCCn1cncc1-c1nc(C)c(C(C)C)c(C)n1.Cc1nc(-c2cncn2CCO)nc(C)c1C(C)C
InChIInChI=1S/C15H22N4.C14H20N4O/c1-6-7-19-9-16-8-13(19)15-17-11(4)14(10(2)3)12(5)18-15;1-9(2)13-10(3)16-14(17-11(13)4)12-7-15-8-18(12)5-6-19/h8-10H,6-7H2,1-5H3;7-9,19H,5-6H2,1-4H3
InChIKeyHMEWQFVWNXDMEC-UHFFFAOYSA-N
MW518.71 g/mol
LogP5.56
Rot. Bonds8

About 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol

4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol (PubChem CID 158520945) has the molecular formula C29H42N8O and a molecular weight of 518.71 g/mol. Its IUPAC name is 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol
PubChem CID158520945
Molecular FormulaC29H42N8O
Molecular Weight518.71 g/mol
Exact Mass518.35
IUPAC Name4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol
SMILESCCCn1cncc1-c1nc(C)c(C(C)C)c(C)n1.Cc1nc(-c2cncn2CCO)nc(C)c1C(C)C
InChIInChI=1S/C15H22N4.C14H20N4O/c1-6-7-19-9-16-8-13(19)15-17-11(4)14(10(2)3)12(5)18-15;1-9(2)13-10(3)16-14(17-11(13)4)12-7-15-8-18(12)5-6-19/h8-10H,6-7H2,1-5H3;7-9,19H,5-6H2,1-4H3
InChIKeyHMEWQFVWNXDMEC-UHFFFAOYSA-N
XLogP5.56
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol?
The IUPAC name of 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol (CID 158520945) is 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol is CCCn1cncc1-c1nc(C)c(C(C)C)c(C)n1.Cc1nc(-c2cncn2CCO)nc(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol?
The InChIKey is HMEWQFVWNXDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.C14H20N4O/c1-6-7-19-9-16-8-13(19)15-17-11(4)14(10(2)3)12(5)18-15;1-9(2)13-10(3)16-14(17-11(13)4)12-7-15-8-18(12)5-6-19/h8-10H,6-7H2,1-5H3;7-9,19H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol?
4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol has a molecular weight of 518.71 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 158520945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).