2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C18H29N5O — CID 95867348

IUPAC2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O/c1-14-19-16(11-17(20-14)22-8-4-5-9-22)15-7-6-10-23(12-15)18(24)13-21(2)3/h11,15H,4-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyUULLEISYUYXXTA-OAHLLOKOSA-N
MW331.46 g/mol
LogP1.65
Rot. Bonds4

About 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 95867348) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID95867348
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O/c1-14-19-16(11-17(20-14)22-8-4-5-9-22)15-7-6-10-23(12-15)18(24)13-21(2)3/h11,15H,4-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyUULLEISYUYXXTA-OAHLLOKOSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 56881607
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
(5-methyl-3-pyridinyl)-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70705436
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
CID 70741044
(3-hydroxy-4-methylphenyl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95870156
5-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 56901655
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
(5-ethyl-1H-pyrazol-4-yl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95862072
1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95845771
N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95871480

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 95867348) is 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)cc(N2CCCC2)n1.
What is the InChIKey of 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is UULLEISYUYXXTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14-19-16(11-17(20-14)22-8-4-5-9-22)15-7-6-10-23(12-15)18(24)13-21(2)3/h11,15H,4-10,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95867348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).