4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine

C16H23N5O2S — CID 125002852

IUPAC4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
SMILESCCn1nccc1-c1cc(C)nc([C@H]2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H23N5O2S/c1-4-20-14(8-9-17-20)13-11-12(2)18-16(19-13)15-7-5-6-10-21(15)24(3,22)23/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeySNIXHIQRUBDPTE-OAHLLOKOSA-N
MW349.46 g/mol
LogP2.16
Rot. Bonds4

About 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine

4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine (PubChem CID 125002852) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
PubChem CID125002852
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
SMILESCCn1nccc1-c1cc(C)nc([C@H]2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H23N5O2S/c1-4-20-14(8-9-17-20)13-11-12(2)18-16(19-13)15-7-5-6-10-21(15)24(3,22)23/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeySNIXHIQRUBDPTE-OAHLLOKOSA-N
XLogP2.16
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine (CID 125002852) is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine is CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The InChIKey is SNIXHIQRUBDPTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-4-20-14(8-9-17-20)13-11-12(2)18-16(19-13)15-7-5-6-10-21(15)24(3,22)23/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine has a molecular weight of 349.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine is sourced from PubChem (CID 125002852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).