6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

C13H23N3O2 — CID 80989417

IUPAC6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCCOCC)c1C
InChIInChI=1S/C13H23N3O2/c1-5-11-15-12(14-6-2)10(4)13(16-11)18-9-8-17-7-3/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyBSDBEBXWJHMNPI-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.19
Rot. Bonds8

About 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80989417) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80989417
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCCOCC)c1C
InChIInChI=1S/C13H23N3O2/c1-5-11-15-12(14-6-2)10(4)13(16-11)18-9-8-17-7-3/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyBSDBEBXWJHMNPI-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.19
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

N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80989859
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80989417) is 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(OCCOCC)c1C.
What is the InChIKey of 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is BSDBEBXWJHMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-11-15-12(14-6-2)10(4)13(16-11)18-9-8-17-7-3/h5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).