4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol

C14H18N4O2 — CID 71206317

IUPAC4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18)
InChIKeyIMXJGDBIPKJDCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds3

About 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol

4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol (PubChem CID 71206317) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
PubChem CID71206317
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18)
InChIKeyIMXJGDBIPKJDCS-UHFFFAOYSA-N
XLogP2.57
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Gefapixant
CID 24764487
5-(4-Methoxy-2-(propan-2-yl)phenoxy)pyrimidine-2,4-diamine
CID 16117816
5-(5-Iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine
CID 15953802
2-((4-Amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidin-2-yl)amino)propane-1,3-diol
CID 24883277
5-[3-(2,5-Dimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine
CID 25138222
5-[(2-Methoxy-5-pentoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 490567
5-(5-(Hexyloxy)-2-methoxybenzyl)pyrimidine-2,4-diamine
CID 490568
5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 490569
5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine
CID 10634047
4-(2,4-Diamino-pyrimidin-5-yloxy)-2-iodo-5-isopropyl-phenol
CID 15953864
5-(5-Bromo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 16119168
5-(5-Ethynyl-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine
CID 16119573

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol (CID 71206317) is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol is Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O.
What is the InChIKey of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The InChIKey is IMXJGDBIPKJDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18).
What are the key properties of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol has a molecular weight of 274.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 71206317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).