1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea

C17H24N6O3 — CID 57329705

IUPAC1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C17H24N6O3/c1-5-20-17(24)22-11-7-12(10(9(2)3)6-13(11)25-4)26-14-8-21-16(19)23-15(14)18/h6-9H,5H2,1-4H3,(H2,20,22,24)(H4,18,19,21,23)
InChIKeyLXJOHWMGBARELU-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.71
Rot. Bonds6

About 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea

1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea (PubChem CID 57329705) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
PubChem CID57329705
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C17H24N6O3/c1-5-20-17(24)22-11-7-12(10(9(2)3)6-13(11)25-4)26-14-8-21-16(19)23-15(14)18/h6-9H,5H2,1-4H3,(H2,20,22,24)(H4,18,19,21,23)
InChIKeyLXJOHWMGBARELU-UHFFFAOYSA-N
XLogP2.71
TPSA137.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea with MolForge

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Related Compounds

1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 160731462
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 155471079
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
methyl 4-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-4-oxobutanoate
CID 68510970
5-(5-amino-4-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine;anilinomethanol;1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]-3-phenylurea;ethane;methane
CID 158815108
1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
CID 139460650
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The IUPAC name of 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea (CID 57329705) is 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea.
What is the SMILES notation for 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The canonical SMILES for 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea is CCNC(=O)Nc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC.
What is the InChIKey of 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The InChIKey is LXJOHWMGBARELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-5-20-17(24)22-11-7-12(10(9(2)3)6-13(11)25-4)26-14-8-21-16(19)23-15(14)18/h6-9H,5H2,1-4H3,(H2,20,22,24)(H4,18,19,21,23).
What are the key properties of 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea has a molecular weight of 360.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea is sourced from PubChem (CID 57329705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).