2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol

C19H33N5O — CID 50948519

IUPAC2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCc1nc(N2CCCC2)nc(N(C)CC2CCCN(CCO)C2)c1C
InChIInChI=1S/C19H33N5O/c1-15-16(2)20-19(24-9-4-5-10-24)21-18(15)22(3)13-17-7-6-8-23(14-17)11-12-25/h17,25H,4-14H2,1-3H3
InChIKeyTUUNDDQNMXPVMT-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.83
Rot. Bonds6

About 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol

2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 50948519) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID50948519
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCc1nc(N2CCCC2)nc(N(C)CC2CCCN(CCO)C2)c1C
InChIInChI=1S/C19H33N5O/c1-15-16(2)20-19(24-9-4-5-10-24)21-18(15)22(3)13-17-7-6-8-23(14-17)11-12-25/h17,25H,4-14H2,1-3H3
InChIKeyTUUNDDQNMXPVMT-UHFFFAOYSA-N
XLogP1.83
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

2-(ethyl{[(3R*,4R*)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}amino)ethanol
CID 70759746
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72902906
4-[1-(2,5,6-Trimethylpyrimidin-4-YL)piperidin-4-YL]morpholine
CID 72934401
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
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
4-[3-(1-Isobutyl-4-piperidinyl)-1-pyrrolidinyl]-5,6-dimethylpyrimidine
CID 56886675
1-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 56913328
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70747135
1-[[4,6-Dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 71860590
3-[(Dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-YL)piperidin-3-OL
CID 72898055

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol (CID 50948519) is 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol is Cc1nc(N2CCCC2)nc(N(C)CC2CCCN(CCO)C2)c1C.
What is the InChIKey of 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is TUUNDDQNMXPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15-16(2)20-19(24-9-4-5-10-24)21-18(15)22(3)13-17-7-6-8-23(14-17)11-12-25/h17,25H,4-14H2,1-3H3.
What are the key properties of 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 347.51 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 50948519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).