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

C15H21N5 — CID 124976726

IUPAC4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@](C)(c3ccn[nH]3)C2)n1
InChIInChI=1S/C15H21N5/c1-11-9-12(2)18-14(17-11)20-8-4-6-15(3,10-20)13-5-7-16-19-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyLHOGBUJYJFZXMY-OAHLLOKOSA-N
MW271.37 g/mol
LogP2.37
Rot. Bonds2

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

4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 124976726) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID124976726
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@](C)(c3ccn[nH]3)C2)n1
InChIInChI=1S/C15H21N5/c1-11-9-12(2)18-14(17-11)20-8-4-6-15(3,10-20)13-5-7-16-19-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyLHOGBUJYJFZXMY-OAHLLOKOSA-N
XLogP2.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
CID 86775699
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
CID 124951929
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
CID 114267758
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
CID 122269420
4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
CID 143641692
2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598472

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (CID 124976726) is 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCC[C@@](C)(c3ccn[nH]3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is LHOGBUJYJFZXMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-9-12(2)18-14(17-11)20-8-4-6-15(3,10-20)13-5-7-16-19-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,16,19)/t15-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.37, 2 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-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 124976726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).