2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine

C15H21N5O — CID 95846027

IUPAC2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC[C@H](c3[nH]ncc3C)C2)cn1
InChIInChI=1S/C15H21N5O/c1-11-6-18-19-14(11)13-4-3-5-20(10-13)9-12-7-16-15(21-2)17-8-12/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHMWQHTLEAORXJW-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.90
Rot. Bonds4

About 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 95846027) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
PubChem CID95846027
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC[C@H](c3[nH]ncc3C)C2)cn1
InChIInChI=1S/C15H21N5O/c1-11-6-18-19-14(11)13-4-3-5-20(10-13)9-12-7-16-15(21-2)17-8-12/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHMWQHTLEAORXJW-ZDUSSCGKSA-N
XLogP1.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine (CID 95846027) is 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCC[C@H](c3[nH]ncc3C)C2)cn1.
What is the InChIKey of 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is HMWQHTLEAORXJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-6-18-19-14(11)13-4-3-5-20(10-13)9-12-7-16-15(21-2)17-8-12/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 287.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95846027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).