N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine

C14H17N3O2 — CID 80859312

IUPACN,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-11-10-13(17-14(15-2)16-11)19-9-8-18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyGIQCRFMADYRPMO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds6

About N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine

N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine (PubChem CID 80859312) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
PubChem CID80859312
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-11-10-13(17-14(15-2)16-11)19-9-8-18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyGIQCRFMADYRPMO-UHFFFAOYSA-N
XLogP2.28
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
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-(2-ethoxyethoxy)-N,6-dimethylpyrimidin-2-amine
CID 80858314
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
N-(2-phenoxyethoxy)methanamine
CID 117126931

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine (CID 80859312) is N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine is CNc1nc(C)cc(OCCOc2ccccc2)n1.
What is the InChIKey of N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine?
The InChIKey is GIQCRFMADYRPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-10-13(17-14(15-2)16-11)19-9-8-18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine?
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80859312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).