amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol

C15H21N5O3 — CID 163788911

IUPACamino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)O
InChIInChI=1S/C15H21N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7,14,21H,17H2,1-3H3,(H4,16,18,19,20)
InChIKeyMUYXFSWMWJBDEI-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.51
Rot. Bonds5

About amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol

amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol (PubChem CID 163788911) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Nameamino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
PubChem CID163788911
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nameamino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)O
InChIInChI=1S/C15H21N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7,14,21H,17H2,1-3H3,(H4,16,18,19,20)
InChIKeyMUYXFSWMWJBDEI-UHFFFAOYSA-N
XLogP1.51
TPSA142.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.51
H-Bond Donors ≤ 54
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

N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
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
1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 57329705
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
CID 139460650
5-(5-iodo-4-methoxy-2-propan-2-ylphenyl)peroxypyrimidine-2,4-diamine
CID 87725645
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835

Frequently Asked Questions

What is the IUPAC name of amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol?
The IUPAC name of amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol (CID 163788911) is amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol.
What is the SMILES notation for amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol?
The canonical SMILES for amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)O.
What is the InChIKey of amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol?
The InChIKey is MUYXFSWMWJBDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7,14,21H,17H2,1-3H3,(H4,16,18,19,20).
What are the key properties of amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol?
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol has a molecular weight of 319.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol is sourced from PubChem (CID 163788911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).