6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine

C14H18N4O — CID 80815379

IUPAC6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-10-14(18-11-17-13)16-8-9-19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyWPHQNSFTTKLQGG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds7

About 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine (PubChem CID 80815379) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
PubChem CID80815379
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-10-14(18-11-17-13)16-8-9-19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyWPHQNSFTTKLQGG-UHFFFAOYSA-N
XLogP2.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine (CID 80815379) is 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCOc2ccccc2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is WPHQNSFTTKLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-13-10-14(18-11-17-13)16-8-9-19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80815379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).