2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

C16H23N5O — CID 164632310

IUPAC2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC[C@H](Cn3ccnc3C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-13-17-5-7-21(13)12-14-4-3-6-20(10-14)11-15-8-18-16(22-2)19-9-15/h5,7-9,14H,3-4,6,10-12H2,1-2H3/t14-/m0/s1
InChIKeyCBVJAOCEMJAFBQ-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.90
Rot. Bonds5

About 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 164632310) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
PubChem CID164632310
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC[C@H](Cn3ccnc3C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-13-17-5-7-21(13)12-14-4-3-6-20(10-14)11-15-8-18-16(22-2)19-9-15/h5,7-9,14H,3-4,6,10-12H2,1-2H3/t14-/m0/s1
InChIKeyCBVJAOCEMJAFBQ-AWEZNQCLSA-N
XLogP1.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (CID 164632310) is 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCC[C@H](Cn3ccnc3C)C2)cn1.
What is the InChIKey of 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is CBVJAOCEMJAFBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-17-5-7-21(13)12-14-4-3-6-20(10-14)11-15-8-18-16(22-2)19-9-15/h5,7-9,14H,3-4,6,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 301.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 164632310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).