N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

C14H23N3O3 — CID 126848753

IUPACN-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(C2CCOC2)ncn1)OCC
InChIInChI=1S/C14H23N3O3/c1-3-19-14(20-4-2)8-15-13-7-12(16-10-17-13)11-5-6-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWONPJUMRDVXENZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.79
Rot. Bonds8

About N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 126848753) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID126848753
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(C2CCOC2)ncn1)OCC
InChIInChI=1S/C14H23N3O3/c1-3-19-14(20-4-2)8-15-13-7-12(16-10-17-13)11-5-6-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWONPJUMRDVXENZ-UHFFFAOYSA-N
XLogP1.79
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 126848098
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126431410
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125170815
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 125175212
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125178474
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125164969

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (CID 126848753) is N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is CCOC(CNc1cc(C2CCOC2)ncn1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is WONPJUMRDVXENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-14(20-4-2)8-15-13-7-12(16-10-17-13)11-5-6-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 126848753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).