5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine

C21H38N6O — CID 29153862

IUPAC5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
SMILESCCN1CCC[C@H]1CN(Cc1cnc(N)nc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H38N6O/c1-3-27-8-4-5-20(27)17-26(16-19-13-23-21(22)24-14-19)15-18-6-9-25(10-7-18)11-12-28-2/h13-14,18,20H,3-12,15-17H2,1-2H3,(H2,22,23,24)/t20-/m0/s1
InChIKeyUYBXLUBJVLSEPW-FQEVSTJZSA-N
MW390.58 g/mol
LogP1.70
Rot. Bonds10

About 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine

5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine (PubChem CID 29153862) has the molecular formula C21H38N6O and a molecular weight of 390.58 g/mol. Its IUPAC name is 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
PubChem CID29153862
Molecular FormulaC21H38N6O
Molecular Weight390.58 g/mol
Exact Mass390.31
IUPAC Name5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
SMILESCCN1CCC[C@H]1CN(Cc1cnc(N)nc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H38N6O/c1-3-27-8-4-5-20(27)17-26(16-19-13-23-21(22)24-14-19)15-18-6-9-25(10-7-18)11-12-28-2/h13-14,18,20H,3-12,15-17H2,1-2H3,(H2,22,23,24)/t20-/m0/s1
InChIKeyUYBXLUBJVLSEPW-FQEVSTJZSA-N
XLogP1.70
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45212641
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
CID 45229833
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42513986
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
CID 45175059
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
CID 45168001
N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45242953
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methylsulfanyl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 42394878
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45174931

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine (CID 29153862) is 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine is CCN1CCC[C@H]1CN(Cc1cnc(N)nc1)CC1CCN(CCOC)CC1.
What is the InChIKey of 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is UYBXLUBJVLSEPW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H38N6O/c1-3-27-8-4-5-20(27)17-26(16-19-13-23-21(22)24-14-19)15-18-6-9-25(10-7-18)11-12-28-2/h13-14,18,20H,3-12,15-17H2,1-2H3,(H2,22,23,24)/t20-/m0/s1.
What are the key properties of 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine?
5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 390.58 g/mol, XLogP of 1.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 29153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).