4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide

C14H16N4O2 — CID 80882078

IUPAC4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
SMILESCC(C)c1c(N)ncnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-8(2)11-12(15)17-7-18-14(11)20-10-5-3-9(4-6-10)13(16)19/h3-8H,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeyFHMWDPARPKYHCL-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.07
Rot. Bonds4

About 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide (PubChem CID 80882078) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
PubChem CID80882078
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
SMILESCC(C)c1c(N)ncnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-8(2)11-12(15)17-7-18-14(11)20-10-5-3-9(4-6-10)13(16)19/h3-8H,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeyFHMWDPARPKYHCL-UHFFFAOYSA-N
XLogP2.07
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
methyl 4-(5,6-diaminopyrimidin-4-yl)oxybenzoate
CID 22544690
6-(3-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80880750
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide (CID 80882078) is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide is CC(C)c1c(N)ncnc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The InChIKey is FHMWDPARPKYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(2)11-12(15)17-7-18-14(11)20-10-5-3-9(4-6-10)13(16)19/h3-8H,1-2H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide?
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide has a molecular weight of 272.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 80882078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).