4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine

C18H27N5 — CID 110101210

IUPAC4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H27N5/c1-5-23-17(8-9-19-23)16-11-14(4)20-18(21-16)15-7-6-10-22(12-15)13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3
InChIKeyOCMNUCYQEIVRFK-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine

4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine (PubChem CID 110101210) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
PubChem CID110101210
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H27N5/c1-5-23-17(8-9-19-23)16-11-14(4)20-18(21-16)15-7-6-10-22(12-15)13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3
InChIKeyOCMNUCYQEIVRFK-UHFFFAOYSA-N
XLogP3.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
4-methyl-2-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125019578
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124971396
2-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 118740326
2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110101091
(2R)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125026555
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948122
N,N-dimethyl-3-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanamide
CID 110258190
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine (CID 110101210) is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine is CCn1nccc1-c1cc(C)nc(C2CCCN(C(C)C)C2)n1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine?
The InChIKey is OCMNUCYQEIVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-23-17(8-9-19-23)16-11-14(4)20-18(21-16)15-7-6-10-22(12-15)13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine?
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine has a molecular weight of 313.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine is sourced from PubChem (CID 110101210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).