4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol

C14H15N3O — CID 169441439

IUPAC4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
SMILES[2H]c1c([2H])c(Nc2nc(C)cc(C3CC3)n2)c([2H])c([2H])c1O
InChIInChI=1S/C14H15N3O/c1-9-8-13(10-2-3-10)17-14(15-9)16-11-4-6-12(18)7-5-11/h4-8,10,18H,2-3H2,1H3,(H,15,16,17)/i4D,5D,6D,7D
InChIKeyLBDZGKRFRHHISM-UGWFXTGHSA-N
MW245.32 g/mol
LogP3.11
Rot. Bonds3

About 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol

4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol (PubChem CID 169441439) has the molecular formula C14H15N3O and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol.

Molecular Properties

Compound Name4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
PubChem CID169441439
Molecular FormulaC14H15N3O
Molecular Weight245.32 g/mol
Exact Mass245.15
IUPAC Name4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
SMILES[2H]c1c([2H])c(Nc2nc(C)cc(C3CC3)n2)c([2H])c([2H])c1O
InChIInChI=1S/C14H15N3O/c1-9-8-13(10-2-3-10)17-14(15-9)16-11-4-6-12(18)7-5-11/h4-8,10,18H,2-3H2,1H3,(H,15,16,17)/i4D,5D,6D,7D
InChIKeyLBDZGKRFRHHISM-UGWFXTGHSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
CID 162345468
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;(E)-non-2-enoic acid
CID 138505615
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 88537059
N-[1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
CID 88528008
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
CID 88528006
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 56878703

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol?
The IUPAC name of 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol (CID 169441439) is 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol.
What is the SMILES notation for 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol?
The canonical SMILES for 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol is [2H]c1c([2H])c(Nc2nc(C)cc(C3CC3)n2)c([2H])c([2H])c1O.
What is the InChIKey of 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol?
The InChIKey is LBDZGKRFRHHISM-UGWFXTGHSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-8-13(10-2-3-10)17-14(15-9)16-11-4-6-12(18)7-5-11/h4-8,10,18H,2-3H2,1H3,(H,15,16,17)/i4D,5D,6D,7D.
What are the key properties of 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol?
4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol has a molecular weight of 245.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol is sourced from PubChem (CID 169441439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).