2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine

C13H21N3O2 — CID 133348335

IUPAC2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
SMILESCc1cc(NC(C)COC2CCOC2)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-6-13(16-11(3)14-9)15-10(2)7-18-12-4-5-17-8-12/h6,10,12H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyXCSDLCJPCMHPGL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds5

About 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine

2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine (PubChem CID 133348335) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
PubChem CID133348335
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
SMILESCc1cc(NC(C)COC2CCOC2)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-6-13(16-11(3)14-9)15-10(2)7-18-12-4-5-17-8-12/h6,10,12H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyXCSDLCJPCMHPGL-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133348443
N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133348423
6-cyclohexyloxy-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrazin-2-amine
CID 133485988
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
CID 97138326
5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133348299
3-(methoxymethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,2,4-thiadiazol-5-amine
CID 133348414
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
3-nitro-4-[1-(oxolan-3-yloxy)propan-2-ylamino]benzonitrile
CID 133348419
N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63556322

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine (CID 133348335) is 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine is Cc1cc(NC(C)COC2CCOC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine?
The InChIKey is XCSDLCJPCMHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-13(16-11(3)14-9)15-10(2)7-18-12-4-5-17-8-12/h6,10,12H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine?
2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 133348335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).