4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine

C15H21N5 — CID 124951929

IUPAC4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@H](Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C15H21N5/c1-11-8-12(2)18-15(17-11)20-7-3-4-13(10-20)9-14-5-6-16-19-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyDKVILTQHHMJNIX-CYBMUJFWSA-N
MW271.37 g/mol
LogP2.28
Rot. Bonds3

About 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine

4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 124951929) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
PubChem CID124951929
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@H](Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C15H21N5/c1-11-8-12(2)18-15(17-11)20-7-3-4-13(10-20)9-14-5-6-16-19-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyDKVILTQHHMJNIX-CYBMUJFWSA-N
XLogP2.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124973195
(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125013427
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034
6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 110106439
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine (CID 124951929) is 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCC[C@H](Cc3ccn[nH]3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is DKVILTQHHMJNIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-8-12(2)18-15(17-11)20-7-3-4-13(10-20)9-14-5-6-16-19-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine?
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 124951929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).