6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione

C18H26N4O4 — CID 23349126

IUPAC6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccccc1OCC(O)CNCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H26N4O4/c1-13-6-4-5-7-15(13)26-12-14(23)11-19-8-9-20-16-10-17(24)22(3)18(25)21(16)2/h4-7,10,14,19-20,23H,8-9,11-12H2,1-3H3
InChIKeyPCQTUSIJUROIRI-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.17
Rot. Bonds9

About 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 23349126) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID23349126
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccccc1OCC(O)CNCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H26N4O4/c1-13-6-4-5-7-15(13)26-12-14(23)11-19-8-9-20-16-10-17(24)22(3)18(25)21(16)2/h4-7,10,14,19-20,23H,8-9,11-12H2,1-3H3
InChIKeyPCQTUSIJUROIRI-UHFFFAOYSA-N
XLogP-0.17
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[[2-hydroxy-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 23349133
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103006161
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
CID 12818859
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 23349126) is 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione is Cc1ccccc1OCC(O)CNCCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PCQTUSIJUROIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-6-4-5-7-15(13)26-12-14(23)11-19-8-9-20-16-10-17(24)22(3)18(25)21(16)2/h4-7,10,14,19-20,23H,8-9,11-12H2,1-3H3.
What are the key properties of 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 23349126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).