1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine

C20H33N5O — CID 97281088

IUPAC1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NC[C@H]3CCCO3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-2-16-14-19(23-20(22-16)25-9-3-4-10-25)24-11-7-17(8-12-24)21-15-18-6-5-13-26-18/h14,17-18,21H,2-13,15H2,1H3/t18-/m1/s1
InChIKeyAJTWGGFMIZVWFB-GOSISDBHSA-N
MW359.52 g/mol
LogP2.38
Rot. Bonds6

About 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine

1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine (PubChem CID 97281088) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
PubChem CID97281088
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NC[C@H]3CCCO3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-2-16-14-19(23-20(22-16)25-9-3-4-10-25)24-11-7-17(8-12-24)21-15-18-6-5-13-26-18/h14,17-18,21H,2-13,15H2,1H3/t18-/m1/s1
InChIKeyAJTWGGFMIZVWFB-GOSISDBHSA-N
XLogP2.38
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 72893953
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 134705870
(4S,5S)-9-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163306327
4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72850131
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95123943

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine (CID 97281088) is 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine is CCc1cc(N2CCC(NC[C@H]3CCCO3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The InChIKey is AJTWGGFMIZVWFB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-16-14-19(23-20(22-16)25-9-3-4-10-25)24-11-7-17(8-12-24)21-15-18-6-5-13-26-18/h14,17-18,21H,2-13,15H2,1H3/t18-/m1/s1.
What are the key properties of 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine has a molecular weight of 359.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 97281088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).