[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

C18H30N4O2 — CID 86286647

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2CCCC(O)(CN(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)9-15-10-16(20-14(3)19-15)17(23)22-8-6-7-18(24,12-22)11-21(4)5/h10,13,24H,6-9,11-12H2,1-5H3
InChIKeyVDZXCRDBHFOGQI-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.51
Rot. Bonds5

About [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (PubChem CID 86286647) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
PubChem CID86286647
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2CCCC(O)(CN(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)9-15-10-16(20-14(3)19-15)17(23)22-8-6-7-18(24,12-22)11-21(4)5/h10,13,24H,6-9,11-12H2,1-5H3
InChIKeyVDZXCRDBHFOGQI-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 56890492
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
CID 56890831
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 95719356
2-(3,4-dichlorophenyl)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 56911883
3-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]phenyl]benzonitrile
CID 126450683
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
CID 86284901

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (CID 86286647) is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is Cc1nc(CC(C)C)cc(C(=O)N2CCCC(O)(CN(C)C)C2)n1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The InChIKey is VDZXCRDBHFOGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)9-15-10-16(20-14(3)19-15)17(23)22-8-6-7-18(24,12-22)11-21(4)5/h10,13,24H,6-9,11-12H2,1-5H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 86286647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).