2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

C14H17N3O3 — CID 824923

IUPAC2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O3/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(18)16-14(15)17-13(11)19/h3-6,8H,7H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyJALAVGITKSAEPM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 824923) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID824923
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O3/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(18)16-14(15)17-13(11)19/h3-6,8H,7H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyJALAVGITKSAEPM-UHFFFAOYSA-N
XLogP1.44
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (CID 824923) is 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is CC(C)Oc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is JALAVGITKSAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(18)16-14(15)17-13(11)19/h3-6,8H,7H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 824923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).