[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

C19H32N4O2 — CID 72843256

IUPAC[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(c2nc(N3CCCC3)nc(C)c2C)C1
InChIInChI=1S/C19H32N4O2/c1-15-16(2)20-18(22-9-4-5-10-22)21-17(15)23-11-6-7-19(13-23,14-24)8-12-25-3/h24H,4-14H2,1-3H3
InChIKeyGIKWOUJBXVQVHQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.31
Rot. Bonds6

About [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72843256) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72843256
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(c2nc(N3CCCC3)nc(C)c2C)C1
InChIInChI=1S/C19H32N4O2/c1-15-16(2)20-18(22-9-4-5-10-22)21-17(15)23-11-6-7-19(13-23,14-24)8-12-25-3/h24H,4-14H2,1-3H3
InChIKeyGIKWOUJBXVQVHQ-UHFFFAOYSA-N
XLogP2.31
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
9-[5,6-Dimethyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72868765
3-[(3R*,4S*)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
CID 72895556
4-[(5R)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 95717606
[(3S)-1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 164637595
(3-Endo)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 50973810
(4-{[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 56902089
[3-(3-Aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 155717565
2-[3-[[(5,6-Dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
CID 50948519
[4-[[[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
CID 50978853
4-[7-(2-methoxyethyl)-2,7-diazaspiro[4.5]dec-2-yl]-N,N,5,6-tetramethyl-2-pyrimidinamine
CID 56893939
[(3R*,4R*)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70706922

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72843256) is [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(c2nc(N3CCCC3)nc(C)c2C)C1.
What is the InChIKey of [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is GIKWOUJBXVQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-16(2)20-18(22-9-4-5-10-22)21-17(15)23-11-6-7-19(13-23,14-24)8-12-25-3/h24H,4-14H2,1-3H3.
What are the key properties of [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 348.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72843256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).