[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C17H27N5O — CID 100838350

IUPAC[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N2CC[C@@H](N3CCCC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c23-12-15-4-3-8-22(15)17-10-16(18-13-19-17)21-9-5-14(11-21)20-6-1-2-7-20/h10,13-15,23H,1-9,11-12H2/t14-,15-/m1/s1
InChIKeyIKLDRJATFVFKNK-HUUCEWRRSA-N
MW317.44 g/mol
LogP1.11
Rot. Bonds4

About [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 100838350) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID100838350
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N2CC[C@@H](N3CCCC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c23-12-15-4-3-8-22(15)17-10-16(18-13-19-17)21-9-5-14(11-21)20-6-1-2-7-20/h10,13-15,23H,1-9,11-12H2/t14-,15-/m1/s1
InChIKeyIKLDRJATFVFKNK-HUUCEWRRSA-N
XLogP1.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344
[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100843210
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 100838350) is [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(N2CC[C@@H](N3CCCC3)C2)ncn1.
What is the InChIKey of [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IKLDRJATFVFKNK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N5O/c23-12-15-4-3-8-22(15)17-10-16(18-13-19-17)21-9-5-14(11-21)20-6-1-2-7-20/h10,13-15,23H,1-9,11-12H2/t14-,15-/m1/s1.
What are the key properties of [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 317.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 100838350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).