2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine

C16H23N5 — CID 163350969

IUPAC2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(Cn3ccnc3C(C)C)C2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-11(2)16-17-5-6-20(16)8-14-9-21(10-14)15-7-12(3)18-13(4)19-15/h5-7,11,14H,8-10H2,1-4H3
InChIKeyPWKHGTUTHUVTHT-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.55
Rot. Bonds4

About 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine

2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine (PubChem CID 163350969) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
PubChem CID163350969
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(Cn3ccnc3C(C)C)C2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-11(2)16-17-5-6-20(16)8-14-9-21(10-14)15-7-12(3)18-13(4)19-15/h5-7,11,14H,8-10H2,1-4H3
InChIKeyPWKHGTUTHUVTHT-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine (CID 163350969) is 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine is Cc1cc(N2CC(Cn3ccnc3C(C)C)C2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The InChIKey is PWKHGTUTHUVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)16-17-5-6-20(16)8-14-9-21(10-14)15-7-12(3)18-13(4)19-15/h5-7,11,14H,8-10H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine has a molecular weight of 285.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine is sourced from PubChem (CID 163350969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).