4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine

C16H23N5 — CID 124971396

IUPAC4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1cc(C)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C16H23N5/c1-3-9-21-15(6-8-18-21)14-10-12(2)19-16(20-14)13-5-4-7-17-11-13/h6,8,10,13,17H,3-5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyJWEBPZREENCGIY-CYBMUJFWSA-N
MW285.39 g/mol
LogP2.53
Rot. Bonds4

About 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine

4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine (PubChem CID 124971396) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
PubChem CID124971396
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1cc(C)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C16H23N5/c1-3-9-21-15(6-8-18-21)14-10-12(2)19-16(20-14)13-5-4-7-17-11-13/h6,8,10,13,17H,3-5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyJWEBPZREENCGIY-CYBMUJFWSA-N
XLogP2.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2R)-piperidin-2-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124964353
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110101210
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine (CID 124971396) is 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine is CCCn1nccc1-c1cc(C)nc([C@@H]2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine?
The InChIKey is JWEBPZREENCGIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-9-21-15(6-8-18-21)14-10-12(2)19-16(20-14)13-5-4-7-17-11-13/h6,8,10,13,17H,3-5,7,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine?
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 124971396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).