1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol

C17H24N4O4 — CID 139460650

IUPAC1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
SMILESCOc1cc(Oc2cnc(NC(C)O)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C17H24N4O4/c1-9(2)11-6-13(23-4)14(24-5)7-12(11)25-15-8-19-17(20-10(3)22)21-16(15)18/h6-10,22H,1-5H3,(H3,18,19,20,21)
InChIKeyFTZBKHMGVVLGEQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.74
Rot. Bonds7

About 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol

1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol (PubChem CID 139460650) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
PubChem CID139460650
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
SMILESCOc1cc(Oc2cnc(NC(C)O)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C17H24N4O4/c1-9(2)11-6-13(23-4)14(24-5)7-12(11)25-15-8-19-17(20-10(3)22)21-16(15)18/h6-10,22H,1-5H3,(H3,18,19,20,21)
InChIKeyFTZBKHMGVVLGEQ-UHFFFAOYSA-N
XLogP2.74
TPSA111.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 59598713
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
5-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 137412810
2-[[4-amino-5-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]butan-2-ol
CID 134519156
methyl 4-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-4-oxobutanoate
CID 68510970
3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol
CID 155130535
2-[[4-amino-5-(4-chloro-5-iodo-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol
CID 25003002
5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 145284551
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol (CID 139460650) is 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol is COc1cc(Oc2cnc(NC(C)O)nc2N)c(C(C)C)cc1OC.
What is the InChIKey of 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol?
The InChIKey is FTZBKHMGVVLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-9(2)11-6-13(23-4)14(24-5)7-12(11)25-15-8-19-17(20-10(3)22)21-16(15)18/h6-10,22H,1-5H3,(H3,18,19,20,21).
What are the key properties of 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol?
1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol has a molecular weight of 348.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 139460650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).