2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C16H21N3O2 — CID 79422302

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C(N)C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C16H21N3O2/c1-9-6-5-7-10(8-9)11-14(20)18-13(19-15(11)21)12(17)16(2,3)4/h5-8,12H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyDLNTTWUQGSHVNM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.50
Rot. Bonds2

About 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79422302) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79422302
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C(N)C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C16H21N3O2/c1-9-6-5-7-10(8-9)11-14(20)18-13(19-15(11)21)12(17)16(2,3)4/h5-8,12H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyDLNTTWUQGSHVNM-UHFFFAOYSA-N
XLogP2.50
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79422302) is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(C(N)C(C)(C)C)[nH]c2=O)c1.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is DLNTTWUQGSHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9-6-5-7-10(8-9)11-14(20)18-13(19-15(11)21)12(17)16(2,3)4/h5-8,12H,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 287.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79422302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).