2-methoxy-5-pyrimidin-5-ylbenzaldehyde

C12H10N2O2 — CID 10727355

IUPAC2-methoxy-5-pyrimidin-5-ylbenzaldehyde
SMILESCOc1ccc(-c2cncnc2)cc1C=O
InChIInChI=1S/C12H10N2O2/c1-16-12-3-2-9(4-10(12)7-15)11-5-13-8-14-6-11/h2-8H,1H3
InChIKeyBTQNEGKTJZGCPC-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.96
Rot. Bonds3

About 2-methoxy-5-pyrimidin-5-ylbenzaldehyde

2-methoxy-5-pyrimidin-5-ylbenzaldehyde (PubChem CID 10727355) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-methoxy-5-pyrimidin-5-ylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-pyrimidin-5-ylbenzaldehyde
PubChem CID10727355
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-methoxy-5-pyrimidin-5-ylbenzaldehyde
SMILESCOc1ccc(-c2cncnc2)cc1C=O
InChIInChI=1S/C12H10N2O2/c1-16-12-3-2-9(4-10(12)7-15)11-5-13-8-14-6-11/h2-8H,1H3
InChIKeyBTQNEGKTJZGCPC-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
4-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763562
2-Hydroxy-5-(5-pyrimidinyl)benzaldehyde
CID 20100145
2-[3-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]propoxy]benzoic acid
CID 5271419
4-[2-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]ethyl]benzoic acid
CID 5271424
(E)-2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenyl]-allyloxy}-benzoic acid
CID 11475250
(2-Methoxyphenyl){1-[4-(pyrimidin-2-yloxy)benzyl]piperidin-3-yl}methanone
CID 16189869
(3E)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]chromen-4-one
CID 127050122
(E)-3-(dimethylamino)-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 1484634
2-Hydroxy-3-methoxy-5-(5-pyrimidinyl)benzaldehyde
CID 39225125
2-Hydroxy-6-(5-pyrimidinyl)-1-naphthalenecarboxaldehyde
CID 59599732

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-pyrimidin-5-ylbenzaldehyde?
The IUPAC name of 2-methoxy-5-pyrimidin-5-ylbenzaldehyde (CID 10727355) is 2-methoxy-5-pyrimidin-5-ylbenzaldehyde.
What is the SMILES notation for 2-methoxy-5-pyrimidin-5-ylbenzaldehyde?
The canonical SMILES for 2-methoxy-5-pyrimidin-5-ylbenzaldehyde is COc1ccc(-c2cncnc2)cc1C=O.
What is the InChIKey of 2-methoxy-5-pyrimidin-5-ylbenzaldehyde?
The InChIKey is BTQNEGKTJZGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12-3-2-9(4-10(12)7-15)11-5-13-8-14-6-11/h2-8H,1H3.
What are the key properties of 2-methoxy-5-pyrimidin-5-ylbenzaldehyde?
2-methoxy-5-pyrimidin-5-ylbenzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-pyrimidin-5-ylbenzaldehyde is sourced from PubChem (CID 10727355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).