4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine

C13H21N3O2 — CID 133315058

IUPAC4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC2CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(2)16-13(15-10)14-5-7-17-9-12-4-3-6-18-12/h8,12H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyRKISMGXOBISRCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds6

About 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine

4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine (PubChem CID 133315058) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
PubChem CID133315058
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC2CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(2)16-13(15-10)14-5-7-17-9-12-4-3-6-18-12/h8,12H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyRKISMGXOBISRCC-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315051
2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
CID 133388031
N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912581
3-methyl-1-[2-(oxolan-2-ylmethoxy)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133315015
2-[2-[2-[[4-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethylazanium chloride
CID 169001830
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine (CID 133315058) is 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCOCC2CCCO2)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is RKISMGXOBISRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-11(2)16-13(15-10)14-5-7-17-9-12-4-3-6-18-12/h8,12H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133315058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).