2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C14H17N3O2 — CID 79417630

IUPAC2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C(C)(C)N)[nH]c2=O)c1
InChIInChI=1S/C14H17N3O2/c1-8-5-4-6-9(7-8)10-11(18)16-13(14(2,3)15)17-12(10)19/h4-7H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNTAMDUONCJRWBI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds2

About 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79417630) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79417630
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C(C)(C)N)[nH]c2=O)c1
InChIInChI=1S/C14H17N3O2/c1-8-5-4-6-9(7-8)10-11(18)16-13(14(2,3)15)17-12(10)19/h4-7H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNTAMDUONCJRWBI-UHFFFAOYSA-N
XLogP1.64
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79417630) is 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(C(C)(C)N)[nH]c2=O)c1.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is NTAMDUONCJRWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-5-4-6-9(7-8)10-11(18)16-13(14(2,3)15)17-12(10)19/h4-7H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).