4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide

C15H18N4O2 — CID 80874832

IUPAC4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
SMILESCNc1ncnc(Oc2ccc(C(N)=O)cc2)c1C(C)C
InChIInChI=1S/C15H18N4O2/c1-9(2)12-14(17-3)18-8-19-15(12)21-11-6-4-10(5-7-11)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyQSJYSANTUNHDTR-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.53
Rot. Bonds5

About 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide

4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide (PubChem CID 80874832) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
PubChem CID80874832
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
SMILESCNc1ncnc(Oc2ccc(C(N)=O)cc2)c1C(C)C
InChIInChI=1S/C15H18N4O2/c1-9(2)12-14(17-3)18-8-19-15(12)21-11-6-4-10(5-7-11)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyQSJYSANTUNHDTR-UHFFFAOYSA-N
XLogP2.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide?
The IUPAC name of 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide (CID 80874832) is 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide is CNc1ncnc(Oc2ccc(C(N)=O)cc2)c1C(C)C.
What is the InChIKey of 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide?
The InChIKey is QSJYSANTUNHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)12-14(17-3)18-8-19-15(12)21-11-6-4-10(5-7-11)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,17,18,19).
What are the key properties of 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide?
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 80874832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).