5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine

C15H20N4O — CID 80826774

IUPAC5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCCOc1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-13-14(16)18-11-19-15(13)17-9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyGNIRWRODQFEPAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds7

About 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine (PubChem CID 80826774) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
PubChem CID80826774
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCCOc1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-13-14(16)18-11-19-15(13)17-9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyGNIRWRODQFEPAY-UHFFFAOYSA-N
XLogP2.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
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-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80902452
2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241817
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine (CID 80826774) is 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCCOc1ccccc1.
What is the InChIKey of 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine?
The InChIKey is GNIRWRODQFEPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-13-14(16)18-11-19-15(13)17-9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80826774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).