[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H31N5O — CID 95763994

IUPAC[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)CCC1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1
InChIInChI=1S/C18H31N5O/c1-21(2)9-5-15-6-10-22(11-7-15)17-12-18(20-14-19-17)23-8-3-4-16(23)13-24/h12,14-16,24H,3-11,13H2,1-2H3/t16-/m0/s1
InChIKeyIEMLADZIPBSYLO-INIZCTEOSA-N
MW333.48 g/mol
LogP1.61
Rot. Bonds6

About [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95763994) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95763994
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)CCC1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1
InChIInChI=1S/C18H31N5O/c1-21(2)9-5-15-6-10-22(11-7-15)17-12-18(20-14-19-17)23-8-3-4-16(23)13-24/h12,14-16,24H,3-11,13H2,1-2H3/t16-/m0/s1
InChIKeyIEMLADZIPBSYLO-INIZCTEOSA-N
XLogP1.61
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
[(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
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395858
[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 126798700
[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133335943
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95763994) is [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CN(C)CCC1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1.
What is the InChIKey of [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IEMLADZIPBSYLO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21(2)9-5-15-6-10-22(11-7-15)17-12-18(20-14-19-17)23-8-3-4-16(23)13-24/h12,14-16,24H,3-11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 333.48 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95763994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).