4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide

C12H12N4O3 — CID 61147721

IUPAC4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C12H12N4O3/c1-18-10-4-7(11(14)17)2-3-9(10)19-12-15-5-8(13)6-16-12/h2-6H,13H2,1H3,(H2,14,17)
InChIKeySEPIPOSKXGWXHS-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.96
Rot. Bonds4

About 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide

4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide (PubChem CID 61147721) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide.

Molecular Properties

Compound Name4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
PubChem CID61147721
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C12H12N4O3/c1-18-10-4-7(11(14)17)2-3-9(10)19-12-15-5-8(13)6-16-12/h2-6H,13H2,1H3,(H2,14,17)
InChIKeySEPIPOSKXGWXHS-UHFFFAOYSA-N
XLogP0.96
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
CID 142992517
4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
CID 61015827
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
4-[(5-amino-6-methoxy-2-pyridinyl)oxy]-3-methoxybenzamide
CID 43262362
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
CID 103079086
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
4-butoxy-3-methoxybenzamide
CID 47102628
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide?
The IUPAC name of 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide (CID 61147721) is 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide.
What is the SMILES notation for 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide?
The canonical SMILES for 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide is COc1cc(C(N)=O)ccc1Oc1ncc(N)cn1.
What is the InChIKey of 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide?
The InChIKey is SEPIPOSKXGWXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-10-4-7(11(14)17)2-3-9(10)19-12-15-5-8(13)6-16-12/h2-6H,13H2,1H3,(H2,14,17).
What are the key properties of 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide?
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide has a molecular weight of 260.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide is sourced from PubChem (CID 61147721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).