5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

C17H28N4O2 — CID 99936239

IUPAC5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@@H]2CCCO2)nc1)CC1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-21(12-14-4-7-22-8-5-14)13-15-9-18-17(19-10-15)20-11-16-3-2-6-23-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,18,19,20)/t16-/m0/s1
InChIKeyRGTXUAWHUXESMC-INIZCTEOSA-N
MW320.44 g/mol
LogP1.93
Rot. Bonds7

About 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99936239) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99936239
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@@H]2CCCO2)nc1)CC1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-21(12-14-4-7-22-8-5-14)13-15-9-18-17(19-10-15)20-11-16-3-2-6-23-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,18,19,20)/t16-/m0/s1
InChIKeyRGTXUAWHUXESMC-INIZCTEOSA-N
XLogP1.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682
5-[[methyl(pyrazin-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77083663
5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930888
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99954992
5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99943881
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937942
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-ethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55228180

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99936239) is 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)CC1CCOCC1.
What is the InChIKey of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is RGTXUAWHUXESMC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-21(12-14-4-7-22-8-5-14)13-15-9-18-17(19-10-15)20-11-16-3-2-6-23-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,18,19,20)/t16-/m0/s1.
What are the key properties of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99936239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).