4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine

C16H20N2O — CID 129395453

IUPAC4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine
SMILESCOc1ncncc1[C@H](c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)15(13-7-5-12(3)6-8-13)14-9-17-10-18-16(14)19-4/h5-11,15H,1-4H3/t15-/m0/s1
InChIKeyUFFQIUGPWRGJJR-HNNXBMFYSA-N
MW256.35 g/mol
LogP3.58
Rot. Bonds4

About 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine

4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine (PubChem CID 129395453) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine
PubChem CID129395453
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine
SMILESCOc1ncncc1[C@H](c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)15(13-7-5-12(3)6-8-13)14-9-17-10-18-16(14)19-4/h5-11,15H,1-4H3/t15-/m0/s1
InChIKeyUFFQIUGPWRGJJR-HNNXBMFYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine?
The IUPAC name of 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine (CID 129395453) is 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine.
What is the SMILES notation for 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine?
The canonical SMILES for 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine is COc1ncncc1[C@H](c1ccc(C)cc1)C(C)C.
What is the InChIKey of 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine?
The InChIKey is UFFQIUGPWRGJJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)15(13-7-5-12(3)6-8-13)14-9-17-10-18-16(14)19-4/h5-11,15H,1-4H3/t15-/m0/s1.
What are the key properties of 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine?
4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine has a molecular weight of 256.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine is sourced from PubChem (CID 129395453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).